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

C192H238BBrI12N41O23SnV6-6 — CID 160637073

IUPACN-(5-bromo-3-pyridinyl)-3-methylbutanamide;tert-butyl 3-iodo-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;tert-butyl 5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-2-yl]pyrazolo[3,4-c]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;N-[5-(3-iodo-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]-3-methylbutanamide;methane;3-methyl-N-[5-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide;[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-2-yl]boronic acid;3-methyl-N-[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]butanamide;3-methyl-N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-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;pentakis(vanadium)
SMILESC.CC(C)(C)OC(=O)n1c(B(O)O)cc2cccnc21.CC(C)CC(=O)N(C(=O)OC(C)(C)C)c1cncc(-c2cc3c(-c4cc5cccnc5n4C(=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(-c4cc5cccnc5[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.[CH2-]I.[CH3-].[CH3-].[V].[V].[V].[V].[V]
InChIInChI=1S/C38H45N7O7.C26H32IN5O5.C23H21N7O.C21H25N5O2.C16H16IN5O.C16H17N5O.C12H15BN2O4.C11H12N3O.C10H13BrN2O.3C4H9.CI3.CHI2.2CH2I.CH4.2CH3.3HI.Sn.6V/c1-22(2)15-30(46)43(33(47)50-36(3,4)5)25-16-24(19-39-20-25)27-18-26-29(21-41-27)45(35(49)52-38(9,10)11)42-31(26)28-17-23-13-12-14-40-32(23)44(28)34(48)51-37(6,7)8;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;1-13(2)6-21(31)27-16-7-15(10-24-11-16)18-9-17-20(12-26-18)29-30-22(17)19-8-14-4-3-5-25-23(14)28-19;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;1-9(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;1-12(2,3)19-11(16)15-9(13(17)18)7-8-5-4-6-14-10(8)15;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;2*1-2;;;;;;;;;;;;;/h12-14,16-22H,15H2,1-11H3;10-15H,9H2,1-8H3;3-5,7-13H,6H2,1-2H3,(H,25,28)(H,27,31)(H,29,30);8-14,21H,3-7H2,1-2H3,(H,25,27);4-9H,3H2,1-2H3,(H,20,23)(H,21,22);4-10H,3H2,1-2H3,(H,19,21)(H,20,22);4-7,17-18H,1-3H3;4,7-8,11H,1-3,6H2;4-7H,3H2,1-2H3,(H,13,14);3*1,3-4H2,2H3;;1H;2*1H2;1H4;2*1H3;3*1H;;;;;;;/q;;;;;;;;;;;;4*-1;;2*-1;;;;;;;;;;+3/p-3
InChIKeyVBFDICBVJGXPRG-UHFFFAOYSA-K
MW5526.22 g/mol
LogP50.76
Rot. Bonds42

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

N-(5-bromo-3-pyridinyl)-3-methylbutanamide;tert-butyl 3-iodo-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;tert-butyl 5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-2-yl]pyrazolo[3,4-c]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;N-[5-(3-iodo-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]-3-methylbutanamide;methane;3-methyl-N-[5-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide;[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-2-yl]boronic acid;3-methyl-N-[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]butanamide;3-methyl-N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-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;pentakis(vanadium) (PubChem CID 160637073) has the molecular formula C192H238BBrI12N41O23SnV6-6 and a molecular weight of 5526.22 g/mol. Its IUPAC name is N-(5-bromo-3-pyridinyl)-3-methylbutanamide;tert-butyl 3-iodo-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;tert-butyl 5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-2-yl]pyrazolo[3,4-c]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;N-[5-(3-iodo-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]-3-methylbutanamide;methane;3-methyl-N-[5-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide;[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-2-yl]boronic acid;3-methyl-N-[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]butanamide;3-methyl-N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-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;pentakis(vanadium).

Molecular Properties

Compound NameN-(5-bromo-3-pyridinyl)-3-methylbutanamide;tert-butyl 3-iodo-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;tert-butyl 5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-2-yl]pyrazolo[3,4-c]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;N-[5-(3-iodo-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]-3-methylbutanamide;methane;3-methyl-N-[5-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide;[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-2-yl]boronic acid;3-methyl-N-[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]butanamide;3-methyl-N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-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;pentakis(vanadium)
PubChem CID160637073
Molecular FormulaC192H238BBrI12N41O23SnV6-6
Molecular Weight5526.22 g/mol
Exact Mass5524.22
IUPAC NameN-(5-bromo-3-pyridinyl)-3-methylbutanamide;tert-butyl 3-iodo-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;tert-butyl 5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-2-yl]pyrazolo[3,4-c]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;N-[5-(3-iodo-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]-3-methylbutanamide;methane;3-methyl-N-[5-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide;[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-2-yl]boronic acid;3-methyl-N-[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]butanamide;3-methyl-N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-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;pentakis(vanadium)
SMILESC.CC(C)(C)OC(=O)n1c(B(O)O)cc2cccnc21.CC(C)CC(=O)N(C(=O)OC(C)(C)C)c1cncc(-c2cc3c(-c4cc5cccnc5n4C(=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(-c4cc5cccnc5[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.[CH2-]I.[CH3-].[CH3-].[V].[V].[V].[V].[V]
InChIInChI=1S/C38H45N7O7.C26H32IN5O5.C23H21N7O.C21H25N5O2.C16H16IN5O.C16H17N5O.C12H15BN2O4.C11H12N3O.C10H13BrN2O.3C4H9.CI3.CHI2.2CH2I.CH4.2CH3.3HI.Sn.6V/c1-22(2)15-30(46)43(33(47)50-36(3,4)5)25-16-24(19-39-20-25)27-18-26-29(21-41-27)45(35(49)52-38(9,10)11)42-31(26)28-17-23-13-12-14-40-32(23)44(28)34(48)51-37(6,7)8;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;1-13(2)6-21(31)27-16-7-15(10-24-11-16)18-9-17-20(12-26-18)29-30-22(17)19-8-14-4-3-5-25-23(14)28-19;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;1-9(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;1-12(2,3)19-11(16)15-9(13(17)18)7-8-5-4-6-14-10(8)15;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;2*1-2;;;;;;;;;;;;;/h12-14,16-22H,15H2,1-11H3;10-15H,9H2,1-8H3;3-5,7-13H,6H2,1-2H3,(H,25,28)(H,27,31)(H,29,30);8-14,21H,3-7H2,1-2H3,(H,25,27);4-9H,3H2,1-2H3,(H,20,23)(H,21,22);4-10H,3H2,1-2H3,(H,19,21)(H,20,22);4-7,17-18H,1-3H3;4,7-8,11H,1-3,6H2;4-7H,3H2,1-2H3,(H,13,14);3*1,3-4H2,2H3;;1H;2*1H2;1H4;2*1H3;3*1H;;;;;;;/q;;;;;;;;;;;;4*-1;;2*-1;;;;;;;;;;+3/p-3
InChIKeyVBFDICBVJGXPRG-UHFFFAOYSA-K
XLogP50.76
TPSA804.94 Ų
H-Bond Donors11
H-Bond Acceptors53
Rotatable Bonds42
Heavy Atoms277
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005526.22
LogP ≤ 550.76
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1053

Analyze N-(5-bromo-3-pyridinyl)-3-methylbutanamide;tert-butyl 3-iodo-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;tert-butyl 5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-2-yl]pyrazolo[3,4-c]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;N-[5-(3-iodo-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]-3-methylbutanamide;methane;3-methyl-N-[5-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide;[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-2-yl]boronic acid;3-methyl-N-[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]butanamide;3-methyl-N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-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;pentakis(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-iodo-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;tert-butyl 5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-2-yl]pyrazolo[3,4-c]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;N-[5-(3-iodo-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]-3-methylbutanamide;methane;3-methyl-N-[5-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide;[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-2-yl]boronic acid;3-methyl-N-[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]butanamide;3-methyl-N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-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;pentakis(vanadium)?
The IUPAC name of N-(5-bromo-3-pyridinyl)-3-methylbutanamide;tert-butyl 3-iodo-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;tert-butyl 5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-2-yl]pyrazolo[3,4-c]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;N-[5-(3-iodo-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]-3-methylbutanamide;methane;3-methyl-N-[5-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide;[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-2-yl]boronic acid;3-methyl-N-[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]butanamide;3-methyl-N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-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;pentakis(vanadium) (CID 160637073) is N-(5-bromo-3-pyridinyl)-3-methylbutanamide;tert-butyl 3-iodo-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;tert-butyl 5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-2-yl]pyrazolo[3,4-c]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;N-[5-(3-iodo-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]-3-methylbutanamide;methane;3-methyl-N-[5-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide;[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-2-yl]boronic acid;3-methyl-N-[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]butanamide;3-methyl-N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-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;pentakis(vanadium).
What is the SMILES notation for N-(5-bromo-3-pyridinyl)-3-methylbutanamide;tert-butyl 3-iodo-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;tert-butyl 5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-2-yl]pyrazolo[3,4-c]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;N-[5-(3-iodo-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]-3-methylbutanamide;methane;3-methyl-N-[5-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide;[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-2-yl]boronic acid;3-methyl-N-[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]butanamide;3-methyl-N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-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;pentakis(vanadium)?
The canonical SMILES for N-(5-bromo-3-pyridinyl)-3-methylbutanamide;tert-butyl 3-iodo-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;tert-butyl 5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-2-yl]pyrazolo[3,4-c]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;N-[5-(3-iodo-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]-3-methylbutanamide;methane;3-methyl-N-[5-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide;[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-2-yl]boronic acid;3-methyl-N-[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]butanamide;3-methyl-N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-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;pentakis(vanadium) is C.CC(C)(C)OC(=O)n1c(B(O)O)cc2cccnc21.CC(C)CC(=O)N(C(=O)OC(C)(C)C)c1cncc(-c2cc3c(-c4cc5cccnc5n4C(=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(-c4cc5cccnc5[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.[CH2-]I.[CH3-].[CH3-].[V].[V].[V].[V].[V].
What is the InChIKey of N-(5-bromo-3-pyridinyl)-3-methylbutanamide;tert-butyl 3-iodo-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;tert-butyl 5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-2-yl]pyrazolo[3,4-c]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;N-[5-(3-iodo-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]-3-methylbutanamide;methane;3-methyl-N-[5-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide;[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-2-yl]boronic acid;3-methyl-N-[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]butanamide;3-methyl-N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-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;pentakis(vanadium)?
The InChIKey is VBFDICBVJGXPRG-UHFFFAOYSA-K. The full InChI is InChI=1S/C38H45N7O7.C26H32IN5O5.C23H21N7O.C21H25N5O2.C16H16IN5O.C16H17N5O.C12H15BN2O4.C11H12N3O.C10H13BrN2O.3C4H9.CI3.CHI2.2CH2I.CH4.2CH3.3HI.Sn.6V/c1-22(2)15-30(46)43(33(47)50-36(3,4)5)25-16-24(19-39-20-25)27-18-26-29(21-41-27)45(35(49)52-38(9,10)11)42-31(26)28-17-23-13-12-14-40-32(23)44(28)34(48)51-37(6,7)8;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;1-13(2)6-21(31)27-16-7-15(10-24-11-16)18-9-17-20(12-26-18)29-30-22(17)19-8-14-4-3-5-25-23(14)28-19;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;1-9(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;1-12(2,3)19-11(16)15-9(13(17)18)7-8-5-4-6-14-10(8)15;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;2*1-2;;;;;;;;;;;;;/h12-14,16-22H,15H2,1-11H3;10-15H,9H2,1-8H3;3-5,7-13H,6H2,1-2H3,(H,25,28)(H,27,31)(H,29,30);8-14,21H,3-7H2,1-2H3,(H,25,27);4-9H,3H2,1-2H3,(H,20,23)(H,21,22);4-10H,3H2,1-2H3,(H,19,21)(H,20,22);4-7,17-18H,1-3H3;4,7-8,11H,1-3,6H2;4-7H,3H2,1-2H3,(H,13,14);3*1,3-4H2,2H3;;1H;2*1H2;1H4;2*1H3;3*1H;;;;;;;/q;;;;;;;;;;;;4*-1;;2*-1;;;;;;;;;;+3/p-3.
What are the key properties of N-(5-bromo-3-pyridinyl)-3-methylbutanamide;tert-butyl 3-iodo-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;tert-butyl 5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-2-yl]pyrazolo[3,4-c]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;N-[5-(3-iodo-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]-3-methylbutanamide;methane;3-methyl-N-[5-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide;[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-2-yl]boronic acid;3-methyl-N-[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]butanamide;3-methyl-N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-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;pentakis(vanadium)?
N-(5-bromo-3-pyridinyl)-3-methylbutanamide;tert-butyl 3-iodo-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;tert-butyl 5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-2-yl]pyrazolo[3,4-c]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;N-[5-(3-iodo-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]-3-methylbutanamide;methane;3-methyl-N-[5-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide;[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-2-yl]boronic acid;3-methyl-N-[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]butanamide;3-methyl-N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-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;pentakis(vanadium) has a molecular weight of 5526.22 g/mol, XLogP of 50.76, 42 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-iodo-5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]pyrazolo[3,4-c]pyridine-1-carboxylate;tert-butyl 5-[5-[3-methylbutanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-2-yl]pyrazolo[3,4-c]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;N-[5-(3-iodo-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]-3-methylbutanamide;methane;3-methyl-N-[5-[1-(oxan-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide;[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-2-yl]boronic acid;3-methyl-N-[5-(1H-pyrazolo[3,4-c]pyridin-5-yl)-3-pyridinyl]butanamide;3-methyl-N-[5-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-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;pentakis(vanadium) is sourced from PubChem (CID 160637073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).