3-bromo-5-(piperidin-1-ylmethyl)pyridine;tert-butyl 3-iodo-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,3-b]pyridine-1-carboxylate;tert-butyl 3-[4-(4-methylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,3-b]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;3-iodo-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[4,3-b]pyridine;[4-(4-methylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]boronic acid;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine;1-(oxan-2-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,5-b]pyridine;palladium;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;tributyl-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(triphenylphosphane);tetrakis(vanadium)

C274H320BBrI11N47O12P4PdSnV5-5 — CID 157101744

IUPAC3-bromo-5-(piperidin-1-ylmethyl)pyridine;tert-butyl 3-iodo-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,3-b]pyridine-1-carboxylate;tert-butyl 3-[4-(4-methylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,3-b]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;3-iodo-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[4,3-b]pyridine;[4-(4-methylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]boronic acid;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine;1-(oxan-2-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,5-b]pyridine;palladium;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;tributyl-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(triphenylphosphane);tetrakis(vanadium)
SMILESBrc1cncc(CN2CCCCC2)c1.CC(C)(C)OC(=O)n1nc(I)c2nc(-c3cncc(CN4CCCCC4)c3)ccc21.CCCC[Sn](CCCC)(CCCC)c1ccc2c(cnn2C2CCCCO2)n1.CN1CCN(c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCCC7)c6)nc45)cc23)CC1.CN1CCN(c2nccc3c2cc(-c2nn(C(=O)OC(C)(C)C)c4ccc(-c5cncc(CN6CCCCC6)c5)nc24)n3C(=O)OC(C)(C)C)CC1.CN1CCN(c2nccc3c2cc(B(O)O)n3C(=O)OC(C)(C)C)CC1.I[C-](I)I.I[CH-]I.I[V](I)I.Ic1[nH]nc2ccc(-c3cncc(CN4CCCCC4)c3)nc12.[CH2-]I.[CH3-].[CH3-].[Pd].[V].[V].[V].[V].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ncc(-c2ccc3[nH]ncc3n2)cc1CN1CCCCC1.c1ncc(-c2ccc3c(cnn3C3CCCCO3)n2)cc1CN1CCCCC1
InChIInChI=1S/C39H49N9O4.C29H33N9.C22H26IN5O2.C22H27N5O.4C18H15P.C17H25BN4O4.C17H18IN5.C17H19N5.C11H15BrN2.C11H12N3O.3C4H9.CI3.CHI2.CH2I.2CH3.3HI.Pd.Sn.5V/c1-38(2,3)51-36(49)47-30-13-14-41-35(46-19-17-44(7)18-20-46)28(30)22-32(47)34-33-31(48(43-34)37(50)52-39(4,5)6)12-11-29(42-33)27-21-26(23-40-24-27)25-45-15-9-8-10-16-45;1-36-11-13-38(14-12-36)29-22-16-26(32-24(22)7-8-31-29)28-27-25(34-35-28)6-5-23(33-27)21-15-20(17-30-18-21)19-37-9-3-2-4-10-37;1-22(2,3)30-21(29)28-18-8-7-17(25-19(18)20(23)26-28)16-11-15(12-24-13-16)14-27-9-5-4-6-10-27;1-3-9-26(10-4-1)16-17-12-18(14-23-13-17)19-7-8-21-20(25-19)15-24-27(21)22-6-2-5-11-28-22;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-17(2,3)26-16(23)22-13-5-6-19-15(12(13)11-14(22)18(24)25)21-9-7-20(4)8-10-21;18-17-16-15(21-22-17)5-4-14(20-16)13-8-12(9-19-10-13)11-23-6-2-1-3-7-23;1-2-6-22(7-3-1)12-13-8-14(10-18-9-13)15-4-5-16-17(20-15)11-19-21-16;12-11-6-10(7-13-8-11)9-14-4-2-1-3-5-14;1-2-7-15-11(5-1)14-10-4-3-6-12-9(10)8-13-14;3*1-3-4-2;2-1(3)4;2-1-3;1-2;;;;;;;;;;;;/h11-14,21-24H,8-10,15-20,25H2,1-7H3;5-8,15-18,32H,2-4,9-14,19H2,1H3,(H,34,35);7-8,11-13H,4-6,9-10,14H2,1-3H3;7-8,12-15,22H,1-6,9-11,16H2;4*1-15H;5-6,11,24-25H,7-10H2,1-4H3;4-5,8-10H,1-3,6-7,11H2,(H,21,22);4-5,8-11H,1-3,6-7,12H2,(H,19,21);6-8H,1-5,9H2;3-4,8,11H,1-2,5,7H2;3*1,3-4H2,2H3;;1H;1H2;2*1H3;3*1H;;;;;;;/q;;;;;;;;;;;;;;;;5*-1;;;;;;;;;;+3/p-3
InChIKeyPBCWZYNWIVPABY-UHFFFAOYSA-K
MW6554.30 g/mol
LogP59.29
Rot. Bonds50

About 3-bromo-5-(piperidin-1-ylmethyl)pyridine;tert-butyl 3-iodo-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,3-b]pyridine-1-carboxylate;tert-butyl 3-[4-(4-methylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,3-b]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;3-iodo-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[4,3-b]pyridine;[4-(4-methylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]boronic acid;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine;1-(oxan-2-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,5-b]pyridine;palladium;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;tributyl-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(triphenylphosphane);tetrakis(vanadium)

3-bromo-5-(piperidin-1-ylmethyl)pyridine;tert-butyl 3-iodo-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,3-b]pyridine-1-carboxylate;tert-butyl 3-[4-(4-methylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,3-b]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;3-iodo-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[4,3-b]pyridine;[4-(4-methylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]boronic acid;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine;1-(oxan-2-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,5-b]pyridine;palladium;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;tributyl-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(triphenylphosphane);tetrakis(vanadium) (PubChem CID 157101744) has the molecular formula C274H320BBrI11N47O12P4PdSnV5-5 and a molecular weight of 6554.30 g/mol. Its IUPAC name is 3-bromo-5-(piperidin-1-ylmethyl)pyridine;tert-butyl 3-iodo-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,3-b]pyridine-1-carboxylate;tert-butyl 3-[4-(4-methylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,3-b]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;3-iodo-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[4,3-b]pyridine;[4-(4-methylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]boronic acid;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine;1-(oxan-2-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,5-b]pyridine;palladium;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;tributyl-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(triphenylphosphane);tetrakis(vanadium).

Molecular Properties

Compound Name3-bromo-5-(piperidin-1-ylmethyl)pyridine;tert-butyl 3-iodo-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,3-b]pyridine-1-carboxylate;tert-butyl 3-[4-(4-methylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,3-b]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;3-iodo-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[4,3-b]pyridine;[4-(4-methylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]boronic acid;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine;1-(oxan-2-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,5-b]pyridine;palladium;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;tributyl-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(triphenylphosphane);tetrakis(vanadium)
PubChem CID157101744
Molecular FormulaC274H320BBrI11N47O12P4PdSnV5-5
Molecular Weight6554.30 g/mol
Exact Mass6550.89
IUPAC Name3-bromo-5-(piperidin-1-ylmethyl)pyridine;tert-butyl 3-iodo-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,3-b]pyridine-1-carboxylate;tert-butyl 3-[4-(4-methylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,3-b]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;3-iodo-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[4,3-b]pyridine;[4-(4-methylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]boronic acid;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine;1-(oxan-2-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,5-b]pyridine;palladium;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;tributyl-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(triphenylphosphane);tetrakis(vanadium)
SMILESBrc1cncc(CN2CCCCC2)c1.CC(C)(C)OC(=O)n1nc(I)c2nc(-c3cncc(CN4CCCCC4)c3)ccc21.CCCC[Sn](CCCC)(CCCC)c1ccc2c(cnn2C2CCCCO2)n1.CN1CCN(c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCCC7)c6)nc45)cc23)CC1.CN1CCN(c2nccc3c2cc(-c2nn(C(=O)OC(C)(C)C)c4ccc(-c5cncc(CN6CCCCC6)c5)nc24)n3C(=O)OC(C)(C)C)CC1.CN1CCN(c2nccc3c2cc(B(O)O)n3C(=O)OC(C)(C)C)CC1.I[C-](I)I.I[CH-]I.I[V](I)I.Ic1[nH]nc2ccc(-c3cncc(CN4CCCCC4)c3)nc12.[CH2-]I.[CH3-].[CH3-].[Pd].[V].[V].[V].[V].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ncc(-c2ccc3[nH]ncc3n2)cc1CN1CCCCC1.c1ncc(-c2ccc3c(cnn3C3CCCCO3)n2)cc1CN1CCCCC1
InChIInChI=1S/C39H49N9O4.C29H33N9.C22H26IN5O2.C22H27N5O.4C18H15P.C17H25BN4O4.C17H18IN5.C17H19N5.C11H15BrN2.C11H12N3O.3C4H9.CI3.CHI2.CH2I.2CH3.3HI.Pd.Sn.5V/c1-38(2,3)51-36(49)47-30-13-14-41-35(46-19-17-44(7)18-20-46)28(30)22-32(47)34-33-31(48(43-34)37(50)52-39(4,5)6)12-11-29(42-33)27-21-26(23-40-24-27)25-45-15-9-8-10-16-45;1-36-11-13-38(14-12-36)29-22-16-26(32-24(22)7-8-31-29)28-27-25(34-35-28)6-5-23(33-27)21-15-20(17-30-18-21)19-37-9-3-2-4-10-37;1-22(2,3)30-21(29)28-18-8-7-17(25-19(18)20(23)26-28)16-11-15(12-24-13-16)14-27-9-5-4-6-10-27;1-3-9-26(10-4-1)16-17-12-18(14-23-13-17)19-7-8-21-20(25-19)15-24-27(21)22-6-2-5-11-28-22;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-17(2,3)26-16(23)22-13-5-6-19-15(12(13)11-14(22)18(24)25)21-9-7-20(4)8-10-21;18-17-16-15(21-22-17)5-4-14(20-16)13-8-12(9-19-10-13)11-23-6-2-1-3-7-23;1-2-6-22(7-3-1)12-13-8-14(10-18-9-13)15-4-5-16-17(20-15)11-19-21-16;12-11-6-10(7-13-8-11)9-14-4-2-1-3-5-14;1-2-7-15-11(5-1)14-10-4-3-6-12-9(10)8-13-14;3*1-3-4-2;2-1(3)4;2-1-3;1-2;;;;;;;;;;;;/h11-14,21-24H,8-10,15-20,25H2,1-7H3;5-8,15-18,32H,2-4,9-14,19H2,1H3,(H,34,35);7-8,11-13H,4-6,9-10,14H2,1-3H3;7-8,12-15,22H,1-6,9-11,16H2;4*1-15H;5-6,11,24-25H,7-10H2,1-4H3;4-5,8-10H,1-3,6-7,11H2,(H,21,22);4-5,8-11H,1-3,6-7,12H2,(H,19,21);6-8H,1-5,9H2;3-4,8,11H,1-2,5,7H2;3*1,3-4H2,2H3;;1H;1H2;2*1H3;3*1H;;;;;;;/q;;;;;;;;;;;;;;;;5*-1;;;;;;;;;;+3/p-3
InChIKeyPBCWZYNWIVPABY-UHFFFAOYSA-K
XLogP59.29
TPSA608.34 Ų
H-Bond Donors6
H-Bond Acceptors55
Rotatable Bonds50
Heavy Atoms357
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006554.30
LogP ≤ 559.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1055

Analyze 3-bromo-5-(piperidin-1-ylmethyl)pyridine;tert-butyl 3-iodo-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,3-b]pyridine-1-carboxylate;tert-butyl 3-[4-(4-methylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,3-b]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;3-iodo-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[4,3-b]pyridine;[4-(4-methylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]boronic acid;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine;1-(oxan-2-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,5-b]pyridine;palladium;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;tributyl-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(triphenylphosphane);tetrakis(vanadium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(piperidin-1-ylmethyl)pyridine;tert-butyl 3-iodo-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,3-b]pyridine-1-carboxylate;tert-butyl 3-[4-(4-methylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,3-b]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;3-iodo-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[4,3-b]pyridine;[4-(4-methylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]boronic acid;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine;1-(oxan-2-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,5-b]pyridine;palladium;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;tributyl-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(triphenylphosphane);tetrakis(vanadium)?
The IUPAC name of 3-bromo-5-(piperidin-1-ylmethyl)pyridine;tert-butyl 3-iodo-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,3-b]pyridine-1-carboxylate;tert-butyl 3-[4-(4-methylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,3-b]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;3-iodo-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[4,3-b]pyridine;[4-(4-methylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]boronic acid;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine;1-(oxan-2-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,5-b]pyridine;palladium;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;tributyl-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(triphenylphosphane);tetrakis(vanadium) (CID 157101744) is 3-bromo-5-(piperidin-1-ylmethyl)pyridine;tert-butyl 3-iodo-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,3-b]pyridine-1-carboxylate;tert-butyl 3-[4-(4-methylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,3-b]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;3-iodo-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[4,3-b]pyridine;[4-(4-methylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]boronic acid;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine;1-(oxan-2-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,5-b]pyridine;palladium;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;tributyl-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(triphenylphosphane);tetrakis(vanadium).
What is the SMILES notation for 3-bromo-5-(piperidin-1-ylmethyl)pyridine;tert-butyl 3-iodo-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,3-b]pyridine-1-carboxylate;tert-butyl 3-[4-(4-methylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,3-b]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;3-iodo-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[4,3-b]pyridine;[4-(4-methylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]boronic acid;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine;1-(oxan-2-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,5-b]pyridine;palladium;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;tributyl-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(triphenylphosphane);tetrakis(vanadium)?
The canonical SMILES for 3-bromo-5-(piperidin-1-ylmethyl)pyridine;tert-butyl 3-iodo-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,3-b]pyridine-1-carboxylate;tert-butyl 3-[4-(4-methylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,3-b]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;3-iodo-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[4,3-b]pyridine;[4-(4-methylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]boronic acid;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine;1-(oxan-2-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,5-b]pyridine;palladium;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;tributyl-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(triphenylphosphane);tetrakis(vanadium) is Brc1cncc(CN2CCCCC2)c1.CC(C)(C)OC(=O)n1nc(I)c2nc(-c3cncc(CN4CCCCC4)c3)ccc21.CCCC[Sn](CCCC)(CCCC)c1ccc2c(cnn2C2CCCCO2)n1.CN1CCN(c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCCC7)c6)nc45)cc23)CC1.CN1CCN(c2nccc3c2cc(-c2nn(C(=O)OC(C)(C)C)c4ccc(-c5cncc(CN6CCCCC6)c5)nc24)n3C(=O)OC(C)(C)C)CC1.CN1CCN(c2nccc3c2cc(B(O)O)n3C(=O)OC(C)(C)C)CC1.I[C-](I)I.I[CH-]I.I[V](I)I.Ic1[nH]nc2ccc(-c3cncc(CN4CCCCC4)c3)nc12.[CH2-]I.[CH3-].[CH3-].[Pd].[V].[V].[V].[V].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ncc(-c2ccc3[nH]ncc3n2)cc1CN1CCCCC1.c1ncc(-c2ccc3c(cnn3C3CCCCO3)n2)cc1CN1CCCCC1.
What is the InChIKey of 3-bromo-5-(piperidin-1-ylmethyl)pyridine;tert-butyl 3-iodo-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,3-b]pyridine-1-carboxylate;tert-butyl 3-[4-(4-methylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,3-b]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;3-iodo-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[4,3-b]pyridine;[4-(4-methylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]boronic acid;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine;1-(oxan-2-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,5-b]pyridine;palladium;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;tributyl-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(triphenylphosphane);tetrakis(vanadium)?
The InChIKey is PBCWZYNWIVPABY-UHFFFAOYSA-K. The full InChI is InChI=1S/C39H49N9O4.C29H33N9.C22H26IN5O2.C22H27N5O.4C18H15P.C17H25BN4O4.C17H18IN5.C17H19N5.C11H15BrN2.C11H12N3O.3C4H9.CI3.CHI2.CH2I.2CH3.3HI.Pd.Sn.5V/c1-38(2,3)51-36(49)47-30-13-14-41-35(46-19-17-44(7)18-20-46)28(30)22-32(47)34-33-31(48(43-34)37(50)52-39(4,5)6)12-11-29(42-33)27-21-26(23-40-24-27)25-45-15-9-8-10-16-45;1-36-11-13-38(14-12-36)29-22-16-26(32-24(22)7-8-31-29)28-27-25(34-35-28)6-5-23(33-27)21-15-20(17-30-18-21)19-37-9-3-2-4-10-37;1-22(2,3)30-21(29)28-18-8-7-17(25-19(18)20(23)26-28)16-11-15(12-24-13-16)14-27-9-5-4-6-10-27;1-3-9-26(10-4-1)16-17-12-18(14-23-13-17)19-7-8-21-20(25-19)15-24-27(21)22-6-2-5-11-28-22;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-17(2,3)26-16(23)22-13-5-6-19-15(12(13)11-14(22)18(24)25)21-9-7-20(4)8-10-21;18-17-16-15(21-22-17)5-4-14(20-16)13-8-12(9-19-10-13)11-23-6-2-1-3-7-23;1-2-6-22(7-3-1)12-13-8-14(10-18-9-13)15-4-5-16-17(20-15)11-19-21-16;12-11-6-10(7-13-8-11)9-14-4-2-1-3-5-14;1-2-7-15-11(5-1)14-10-4-3-6-12-9(10)8-13-14;3*1-3-4-2;2-1(3)4;2-1-3;1-2;;;;;;;;;;;;/h11-14,21-24H,8-10,15-20,25H2,1-7H3;5-8,15-18,32H,2-4,9-14,19H2,1H3,(H,34,35);7-8,11-13H,4-6,9-10,14H2,1-3H3;7-8,12-15,22H,1-6,9-11,16H2;4*1-15H;5-6,11,24-25H,7-10H2,1-4H3;4-5,8-10H,1-3,6-7,11H2,(H,21,22);4-5,8-11H,1-3,6-7,12H2,(H,19,21);6-8H,1-5,9H2;3-4,8,11H,1-2,5,7H2;3*1,3-4H2,2H3;;1H;1H2;2*1H3;3*1H;;;;;;;/q;;;;;;;;;;;;;;;;5*-1;;;;;;;;;;+3/p-3.
What are the key properties of 3-bromo-5-(piperidin-1-ylmethyl)pyridine;tert-butyl 3-iodo-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,3-b]pyridine-1-carboxylate;tert-butyl 3-[4-(4-methylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,3-b]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;3-iodo-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[4,3-b]pyridine;[4-(4-methylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]boronic acid;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine;1-(oxan-2-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,5-b]pyridine;palladium;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;tributyl-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(triphenylphosphane);tetrakis(vanadium)?
3-bromo-5-(piperidin-1-ylmethyl)pyridine;tert-butyl 3-iodo-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,3-b]pyridine-1-carboxylate;tert-butyl 3-[4-(4-methylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,3-b]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;3-iodo-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[4,3-b]pyridine;[4-(4-methylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]boronic acid;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine;1-(oxan-2-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,5-b]pyridine;palladium;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;tributyl-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(triphenylphosphane);tetrakis(vanadium) has a molecular weight of 6554.30 g/mol, XLogP of 59.29, 50 rotatable bonds, 6 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(piperidin-1-ylmethyl)pyridine;tert-butyl 3-iodo-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,3-b]pyridine-1-carboxylate;tert-butyl 3-[4-(4-methylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,3-b]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;3-iodo-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[4,3-b]pyridine;[4-(4-methylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]boronic acid;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine;1-(oxan-2-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]pyrazolo[4,5-b]pyridine;palladium;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine;tributyl-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(triphenylphosphane);tetrakis(vanadium) is sourced from PubChem (CID 157101744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).