N-(5-bromo-3-pyridinyl)-3-methylbutanamide;tert-butyl 3-[4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;tert-butyl 3-iodo-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;carbanide;diiodomethane;[4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]boronic acid;N-[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;iodomethane;N-[5-(3-iodo-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]-3-methylbutanamide;3-methyl-N-[5-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]butanamide;tributyl-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(vanadium)

C208H241BBrF3I11N41O23SnV5-5 — CID 160947473

IUPACN-(5-bromo-3-pyridinyl)-3-methylbutanamide;tert-butyl 3-[4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;tert-butyl 3-iodo-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;carbanide;diiodomethane;[4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]boronic acid;N-[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;iodomethane;N-[5-(3-iodo-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]-3-methylbutanamide;3-methyl-N-[5-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]butanamide;tributyl-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(vanadium)
SMILESCC(C)(C)OC(=O)n1c(B(O)O)cc2c(-c3ccc(F)cc3)nccc21.CC(C)CC(=O)N(C(=O)OC(C)(C)C)c1cncc(-c2cc3c(-c4cc5c(-c6ccc(F)cc6)nccc5n4C(=O)OC(C)(C)C)nn(C(=O)OC(C)(C)C)c3cn2)c1.CC(C)CC(=O)N(C(=O)OC(C)(C)C)c1cncc(-c2cc3c(I)nn(C(=O)OC(C)(C)C)c3cn2)c1.CC(C)CC(=O)Nc1cncc(-c2cc3c(-c4cc5c(-c6ccc(F)cc6)nccc5[nH]4)n[nH]c3cn2)c1.CC(C)CC(=O)Nc1cncc(-c2cc3c(I)[nH]nc3cn2)c1.CC(C)CC(=O)Nc1cncc(-c2cc3cn[nH]c3cn2)c1.CC(C)CC(=O)Nc1cncc(-c2cc3cnn(C4CCCCO4)c3cn2)c1.CC(C)CC(=O)Nc1cncc(Br)c1.CCCC[Sn](CCCC)(CCCC)c1cc2cnn(C3CCCCO3)c2cn1.I[C-](I)I.I[CH-]I.I[V](I)I.[CH2-]I.[CH3-].[CH3-].[V].[V].[V].[V]
InChIInChI=1S/C44H48FN7O7.C29H24FN7O.C26H32IN5O5.C21H25N5O2.C18H18BFN2O4.C16H16IN5O.C16H17N5O.C11H12N3O.C10H13BrN2O.3C4H9.CI3.CHI2.CH2I.2CH3.3HI.Sn.5V/c1-25(2)18-36(53)50(39(54)57-42(3,4)5)29-19-27(22-46-23-29)32-20-30-35(24-48-32)52(41(56)59-44(9,10)11)49-38(30)34-21-31-33(51(34)40(55)58-43(6,7)8)16-17-47-37(31)26-12-14-28(45)15-13-26;1-16(2)9-27(38)34-20-10-18(13-31-14-20)24-11-22-26(15-33-24)36-37-29(22)25-12-21-23(35-25)7-8-32-28(21)17-3-5-19(30)6-4-17;1-15(2)9-21(33)31(23(34)36-25(3,4)5)17-10-16(12-28-13-17)19-11-18-20(14-29-19)32(30-22(18)27)24(35)37-26(6,7)8;1-14(2)7-20(27)25-17-8-15(10-22-12-17)18-9-16-11-24-26(19(16)13-23-18)21-5-3-4-6-28-21;1-18(2,3)26-17(23)22-14-8-9-21-16(11-4-6-12(20)7-5-11)13(14)10-15(22)19(24)25;1-9(2)3-15(23)20-11-4-10(6-18-7-11)13-5-12-14(8-19-13)21-22-16(12)17;1-10(2)3-16(22)20-13-4-11(6-17-8-13)14-5-12-7-19-21-15(12)9-18-14;1-2-6-15-11(3-1)14-10-8-12-5-4-9(10)7-13-14;1-7(2)3-10(14)13-9-4-8(11)5-12-6-9;3*1-3-4-2;2-1(3)4;2-1-3;1-2;;;;;;;;;;;/h12-17,19-25H,18H2,1-11H3;3-8,10-16,35H,9H2,1-2H3,(H,34,38)(H,36,37);10-15H,9H2,1-8H3;8-14,21H,3-7H2,1-2H3,(H,25,27);4-10,24-25H,1-3H3;4-9H,3H2,1-2H3,(H,20,23)(H,21,22);4-10H,3H2,1-2H3,(H,19,21)(H,20,22);4,7-8,11H,1-3,6H2;4-7H,3H2,1-2H3,(H,13,14);3*1,3-4H2,2H3;;1H;1H2;2*1H3;3*1H;;;;;;/q;;;;;;;;;;;;5*-1;;;;;;;;;+3/p-3
InChIKeyQQSGRAXXYQUDOE-UHFFFAOYSA-K
MW5600.57 g/mol
LogP54.33
Rot. Bonds45

About N-(5-bromo-3-pyridinyl)-3-methylbutanamide;tert-butyl 3-[4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;tert-butyl 3-iodo-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;carbanide;diiodomethane;[4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]boronic acid;N-[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;iodomethane;N-[5-(3-iodo-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]-3-methylbutanamide;3-methyl-N-[5-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]butanamide;tributyl-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(vanadium)

N-(5-bromo-3-pyridinyl)-3-methylbutanamide;tert-butyl 3-[4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;tert-butyl 3-iodo-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;carbanide;diiodomethane;[4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]boronic acid;N-[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;iodomethane;N-[5-(3-iodo-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]-3-methylbutanamide;3-methyl-N-[5-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]butanamide;tributyl-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(vanadium) (PubChem CID 160947473) has the molecular formula C208H241BBrF3I11N41O23SnV5-5 and a molecular weight of 5600.57 g/mol. Its IUPAC name is N-(5-bromo-3-pyridinyl)-3-methylbutanamide;tert-butyl 3-[4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;tert-butyl 3-iodo-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;carbanide;diiodomethane;[4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]boronic acid;N-[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;iodomethane;N-[5-(3-iodo-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]-3-methylbutanamide;3-methyl-N-[5-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]butanamide;tributyl-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(vanadium).

Molecular Properties

Compound NameN-(5-bromo-3-pyridinyl)-3-methylbutanamide;tert-butyl 3-[4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;tert-butyl 3-iodo-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;carbanide;diiodomethane;[4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]boronic acid;N-[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;iodomethane;N-[5-(3-iodo-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]-3-methylbutanamide;3-methyl-N-[5-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]butanamide;tributyl-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(vanadium)
PubChem CID160947473
Molecular FormulaC208H241BBrF3I11N41O23SnV5-5
Molecular Weight5600.57 g/mol
Exact Mass5598.39
IUPAC NameN-(5-bromo-3-pyridinyl)-3-methylbutanamide;tert-butyl 3-[4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;tert-butyl 3-iodo-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;carbanide;diiodomethane;[4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]boronic acid;N-[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;iodomethane;N-[5-(3-iodo-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]-3-methylbutanamide;3-methyl-N-[5-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]butanamide;tributyl-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(vanadium)
SMILESCC(C)(C)OC(=O)n1c(B(O)O)cc2c(-c3ccc(F)cc3)nccc21.CC(C)CC(=O)N(C(=O)OC(C)(C)C)c1cncc(-c2cc3c(-c4cc5c(-c6ccc(F)cc6)nccc5n4C(=O)OC(C)(C)C)nn(C(=O)OC(C)(C)C)c3cn2)c1.CC(C)CC(=O)N(C(=O)OC(C)(C)C)c1cncc(-c2cc3c(I)nn(C(=O)OC(C)(C)C)c3cn2)c1.CC(C)CC(=O)Nc1cncc(-c2cc3c(-c4cc5c(-c6ccc(F)cc6)nccc5[nH]4)n[nH]c3cn2)c1.CC(C)CC(=O)Nc1cncc(-c2cc3c(I)[nH]nc3cn2)c1.CC(C)CC(=O)Nc1cncc(-c2cc3cn[nH]c3cn2)c1.CC(C)CC(=O)Nc1cncc(-c2cc3cnn(C4CCCCO4)c3cn2)c1.CC(C)CC(=O)Nc1cncc(Br)c1.CCCC[Sn](CCCC)(CCCC)c1cc2cnn(C3CCCCO3)c2cn1.I[C-](I)I.I[CH-]I.I[V](I)I.[CH2-]I.[CH3-].[CH3-].[V].[V].[V].[V]
InChIInChI=1S/C44H48FN7O7.C29H24FN7O.C26H32IN5O5.C21H25N5O2.C18H18BFN2O4.C16H16IN5O.C16H17N5O.C11H12N3O.C10H13BrN2O.3C4H9.CI3.CHI2.CH2I.2CH3.3HI.Sn.5V/c1-25(2)18-36(53)50(39(54)57-42(3,4)5)29-19-27(22-46-23-29)32-20-30-35(24-48-32)52(41(56)59-44(9,10)11)49-38(30)34-21-31-33(51(34)40(55)58-43(6,7)8)16-17-47-37(31)26-12-14-28(45)15-13-26;1-16(2)9-27(38)34-20-10-18(13-31-14-20)24-11-22-26(15-33-24)36-37-29(22)25-12-21-23(35-25)7-8-32-28(21)17-3-5-19(30)6-4-17;1-15(2)9-21(33)31(23(34)36-25(3,4)5)17-10-16(12-28-13-17)19-11-18-20(14-29-19)32(30-22(18)27)24(35)37-26(6,7)8;1-14(2)7-20(27)25-17-8-15(10-22-12-17)18-9-16-11-24-26(19(16)13-23-18)21-5-3-4-6-28-21;1-18(2,3)26-17(23)22-14-8-9-21-16(11-4-6-12(20)7-5-11)13(14)10-15(22)19(24)25;1-9(2)3-15(23)20-11-4-10(6-18-7-11)13-5-12-14(8-19-13)21-22-16(12)17;1-10(2)3-16(22)20-13-4-11(6-17-8-13)14-5-12-7-19-21-15(12)9-18-14;1-2-6-15-11(3-1)14-10-8-12-5-4-9(10)7-13-14;1-7(2)3-10(14)13-9-4-8(11)5-12-6-9;3*1-3-4-2;2-1(3)4;2-1-3;1-2;;;;;;;;;;;/h12-17,19-25H,18H2,1-11H3;3-8,10-16,35H,9H2,1-2H3,(H,34,38)(H,36,37);10-15H,9H2,1-8H3;8-14,21H,3-7H2,1-2H3,(H,25,27);4-10,24-25H,1-3H3;4-9H,3H2,1-2H3,(H,20,23)(H,21,22);4-10H,3H2,1-2H3,(H,19,21)(H,20,22);4,7-8,11H,1-3,6H2;4-7H,3H2,1-2H3,(H,13,14);3*1,3-4H2,2H3;;1H;1H2;2*1H3;3*1H;;;;;;/q;;;;;;;;;;;;5*-1;;;;;;;;;+3/p-3
InChIKeyQQSGRAXXYQUDOE-UHFFFAOYSA-K
XLogP54.33
TPSA804.94 Ų
H-Bond Donors11
H-Bond Acceptors53
Rotatable Bonds45
Heavy Atoms294
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005600.57
LogP ≤ 554.33
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1053

Analyze N-(5-bromo-3-pyridinyl)-3-methylbutanamide;tert-butyl 3-[4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;tert-butyl 3-iodo-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;carbanide;diiodomethane;[4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]boronic acid;N-[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;iodomethane;N-[5-(3-iodo-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]-3-methylbutanamide;3-methyl-N-[5-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]butanamide;tributyl-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(vanadium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-pyridinyl)-3-methylbutanamide;tert-butyl 3-[4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;tert-butyl 3-iodo-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;carbanide;diiodomethane;[4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]boronic acid;N-[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;iodomethane;N-[5-(3-iodo-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]-3-methylbutanamide;3-methyl-N-[5-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]butanamide;tributyl-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(vanadium)?
The IUPAC name of N-(5-bromo-3-pyridinyl)-3-methylbutanamide;tert-butyl 3-[4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;tert-butyl 3-iodo-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;carbanide;diiodomethane;[4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]boronic acid;N-[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;iodomethane;N-[5-(3-iodo-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]-3-methylbutanamide;3-methyl-N-[5-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]butanamide;tributyl-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(vanadium) (CID 160947473) is N-(5-bromo-3-pyridinyl)-3-methylbutanamide;tert-butyl 3-[4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;tert-butyl 3-iodo-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;carbanide;diiodomethane;[4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]boronic acid;N-[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;iodomethane;N-[5-(3-iodo-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]-3-methylbutanamide;3-methyl-N-[5-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]butanamide;tributyl-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(vanadium).
What is the SMILES notation for N-(5-bromo-3-pyridinyl)-3-methylbutanamide;tert-butyl 3-[4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;tert-butyl 3-iodo-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;carbanide;diiodomethane;[4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]boronic acid;N-[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;iodomethane;N-[5-(3-iodo-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]-3-methylbutanamide;3-methyl-N-[5-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]butanamide;tributyl-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(vanadium)?
The canonical SMILES for N-(5-bromo-3-pyridinyl)-3-methylbutanamide;tert-butyl 3-[4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;tert-butyl 3-iodo-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;carbanide;diiodomethane;[4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]boronic acid;N-[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;iodomethane;N-[5-(3-iodo-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]-3-methylbutanamide;3-methyl-N-[5-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]butanamide;tributyl-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(vanadium) is CC(C)(C)OC(=O)n1c(B(O)O)cc2c(-c3ccc(F)cc3)nccc21.CC(C)CC(=O)N(C(=O)OC(C)(C)C)c1cncc(-c2cc3c(-c4cc5c(-c6ccc(F)cc6)nccc5n4C(=O)OC(C)(C)C)nn(C(=O)OC(C)(C)C)c3cn2)c1.CC(C)CC(=O)N(C(=O)OC(C)(C)C)c1cncc(-c2cc3c(I)nn(C(=O)OC(C)(C)C)c3cn2)c1.CC(C)CC(=O)Nc1cncc(-c2cc3c(-c4cc5c(-c6ccc(F)cc6)nccc5[nH]4)n[nH]c3cn2)c1.CC(C)CC(=O)Nc1cncc(-c2cc3c(I)[nH]nc3cn2)c1.CC(C)CC(=O)Nc1cncc(-c2cc3cn[nH]c3cn2)c1.CC(C)CC(=O)Nc1cncc(-c2cc3cnn(C4CCCCO4)c3cn2)c1.CC(C)CC(=O)Nc1cncc(Br)c1.CCCC[Sn](CCCC)(CCCC)c1cc2cnn(C3CCCCO3)c2cn1.I[C-](I)I.I[CH-]I.I[V](I)I.[CH2-]I.[CH3-].[CH3-].[V].[V].[V].[V].
What is the InChIKey of N-(5-bromo-3-pyridinyl)-3-methylbutanamide;tert-butyl 3-[4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;tert-butyl 3-iodo-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;carbanide;diiodomethane;[4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]boronic acid;N-[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;iodomethane;N-[5-(3-iodo-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]-3-methylbutanamide;3-methyl-N-[5-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]butanamide;tributyl-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(vanadium)?
The InChIKey is QQSGRAXXYQUDOE-UHFFFAOYSA-K. The full InChI is InChI=1S/C44H48FN7O7.C29H24FN7O.C26H32IN5O5.C21H25N5O2.C18H18BFN2O4.C16H16IN5O.C16H17N5O.C11H12N3O.C10H13BrN2O.3C4H9.CI3.CHI2.CH2I.2CH3.3HI.Sn.5V/c1-25(2)18-36(53)50(39(54)57-42(3,4)5)29-19-27(22-46-23-29)32-20-30-35(24-48-32)52(41(56)59-44(9,10)11)49-38(30)34-21-31-33(51(34)40(55)58-43(6,7)8)16-17-47-37(31)26-12-14-28(45)15-13-26;1-16(2)9-27(38)34-20-10-18(13-31-14-20)24-11-22-26(15-33-24)36-37-29(22)25-12-21-23(35-25)7-8-32-28(21)17-3-5-19(30)6-4-17;1-15(2)9-21(33)31(23(34)36-25(3,4)5)17-10-16(12-28-13-17)19-11-18-20(14-29-19)32(30-22(18)27)24(35)37-26(6,7)8;1-14(2)7-20(27)25-17-8-15(10-22-12-17)18-9-16-11-24-26(19(16)13-23-18)21-5-3-4-6-28-21;1-18(2,3)26-17(23)22-14-8-9-21-16(11-4-6-12(20)7-5-11)13(14)10-15(22)19(24)25;1-9(2)3-15(23)20-11-4-10(6-18-7-11)13-5-12-14(8-19-13)21-22-16(12)17;1-10(2)3-16(22)20-13-4-11(6-17-8-13)14-5-12-7-19-21-15(12)9-18-14;1-2-6-15-11(3-1)14-10-8-12-5-4-9(10)7-13-14;1-7(2)3-10(14)13-9-4-8(11)5-12-6-9;3*1-3-4-2;2-1(3)4;2-1-3;1-2;;;;;;;;;;;/h12-17,19-25H,18H2,1-11H3;3-8,10-16,35H,9H2,1-2H3,(H,34,38)(H,36,37);10-15H,9H2,1-8H3;8-14,21H,3-7H2,1-2H3,(H,25,27);4-10,24-25H,1-3H3;4-9H,3H2,1-2H3,(H,20,23)(H,21,22);4-10H,3H2,1-2H3,(H,19,21)(H,20,22);4,7-8,11H,1-3,6H2;4-7H,3H2,1-2H3,(H,13,14);3*1,3-4H2,2H3;;1H;1H2;2*1H3;3*1H;;;;;;/q;;;;;;;;;;;;5*-1;;;;;;;;;+3/p-3.
What are the key properties of N-(5-bromo-3-pyridinyl)-3-methylbutanamide;tert-butyl 3-[4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;tert-butyl 3-iodo-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;carbanide;diiodomethane;[4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]boronic acid;N-[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;iodomethane;N-[5-(3-iodo-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]-3-methylbutanamide;3-methyl-N-[5-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]butanamide;tributyl-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(vanadium)?
N-(5-bromo-3-pyridinyl)-3-methylbutanamide;tert-butyl 3-[4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;tert-butyl 3-iodo-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;carbanide;diiodomethane;[4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]boronic acid;N-[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;iodomethane;N-[5-(3-iodo-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]-3-methylbutanamide;3-methyl-N-[5-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]butanamide;tributyl-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(vanadium) has a molecular weight of 5600.57 g/mol, XLogP of 54.33, 45 rotatable bonds, 11 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-pyridinyl)-3-methylbutanamide;tert-butyl 3-[4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;tert-butyl 3-iodo-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;carbanide;diiodomethane;[4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-c]pyridin-2-yl]boronic acid;N-[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;iodomethane;N-[5-(3-iodo-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]-3-methylbutanamide;3-methyl-N-[5-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]butanamide;tributyl-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(vanadium) is sourced from PubChem (CID 160947473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).