5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-3-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-oxo-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2R,3S)-3-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-4-(4-fluorophenyl)-2-hydroxybutanoic acid;methyl (2R,3S)-3-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoate;molecular hydrogen

C126H124Cl7F2N27O19 — CID 158501154

IUPAC5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-3-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-oxo-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2R,3S)-3-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-4-(4-fluorophenyl)-2-hydroxybutanoic acid;methyl (2R,3S)-3-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoate;molecular hydrogen
SMILESCN(C)C(=O)[C@H](Cc1ccccn1)NC(=O)c1cc2cc(Cl)ncc2[nH]1.CN(C)C(=O)[C@H](Cc1cccnc1)NC(=O)c1cc2cc(Cl)ncc2[nH]1.COC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ncc2[nH]1.COc1ccc(C(=O)CNC(=O)c2cc3cc(Cl)ncc3[nH]2)cc1.O=C(NCC(O)c1ccc(F)cc1)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](Cc1ccc(F)cc1)[C@@H](O)C(=O)O)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](Cc1cccnc1)C(=O)N1CCCC1)c1cc2cc(Cl)ncc2[nH]1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C20H20ClN5O2.C19H18ClN3O4.C18H15ClFN3O4.2C18H18ClN5O2.C17H14ClN3O3.C16H13ClFN3O2.4H2/c21-18-10-14-9-15(24-17(14)12-23-18)19(27)25-16(8-13-4-3-5-22-11-13)20(28)26-6-1-2-7-26;1-27-19(26)17(24)13(7-11-5-3-2-4-6-11)23-18(25)14-8-12-9-16(20)21-10-15(12)22-14;19-15-7-10-6-13(22-14(10)8-21-15)17(25)23-12(16(24)18(26)27)5-9-1-3-11(20)4-2-9;1-24(2)18(26)14(6-11-4-3-5-20-9-11)23-17(25)13-7-12-8-16(19)21-10-15(12)22-13;1-24(2)18(26)14(9-12-5-3-4-6-20-12)23-17(25)13-7-11-8-16(19)21-10-15(11)22-13;1-24-12-4-2-10(3-5-12)15(22)9-20-17(23)13-6-11-7-16(18)19-8-14(11)21-13;17-15-6-10-5-12(21-13(10)7-19-15)16(23)20-8-14(22)9-1-3-11(18)4-2-9;;;;/h3-5,9-12,16,24H,1-2,6-8H2,(H,25,27);2-6,8-10,13,17,22,24H,7H2,1H3,(H,23,25);1-4,6-8,12,16,22,24H,5H2,(H,23,25)(H,26,27);3-5,7-10,14,22H,6H2,1-2H3,(H,23,25);3-8,10,14,22H,9H2,1-2H3,(H,23,25);2-8,21H,9H2,1H3,(H,20,23);1-7,14,21-22H,8H2,(H,20,23);4*1H/t16-;13-,17+;12-,16+;2*14-;;;;;;/m00000....../s1
InChIKeyHJXIJDGJUWGKPY-UNUWVECLSA-N
MW2606.71 g/mol
LogP17.53
Rot. Bonds36

About 5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-3-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-oxo-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2R,3S)-3-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-4-(4-fluorophenyl)-2-hydroxybutanoic acid;methyl (2R,3S)-3-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoate;molecular hydrogen

5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-3-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-oxo-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2R,3S)-3-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-4-(4-fluorophenyl)-2-hydroxybutanoic acid;methyl (2R,3S)-3-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoate;molecular hydrogen (PubChem CID 158501154) has the molecular formula C126H124Cl7F2N27O19 and a molecular weight of 2606.71 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-3-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-oxo-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2R,3S)-3-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-4-(4-fluorophenyl)-2-hydroxybutanoic acid;methyl (2R,3S)-3-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoate;molecular hydrogen.

Molecular Properties

Compound Name5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-3-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-oxo-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2R,3S)-3-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-4-(4-fluorophenyl)-2-hydroxybutanoic acid;methyl (2R,3S)-3-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoate;molecular hydrogen
PubChem CID158501154
Molecular FormulaC126H124Cl7F2N27O19
Molecular Weight2606.71 g/mol
Exact Mass2601.74
IUPAC Name5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-3-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-oxo-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2R,3S)-3-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-4-(4-fluorophenyl)-2-hydroxybutanoic acid;methyl (2R,3S)-3-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoate;molecular hydrogen
SMILESCN(C)C(=O)[C@H](Cc1ccccn1)NC(=O)c1cc2cc(Cl)ncc2[nH]1.CN(C)C(=O)[C@H](Cc1cccnc1)NC(=O)c1cc2cc(Cl)ncc2[nH]1.COC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ncc2[nH]1.COc1ccc(C(=O)CNC(=O)c2cc3cc(Cl)ncc3[nH]2)cc1.O=C(NCC(O)c1ccc(F)cc1)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](Cc1ccc(F)cc1)[C@@H](O)C(=O)O)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](Cc1cccnc1)C(=O)N1CCCC1)c1cc2cc(Cl)ncc2[nH]1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C20H20ClN5O2.C19H18ClN3O4.C18H15ClFN3O4.2C18H18ClN5O2.C17H14ClN3O3.C16H13ClFN3O2.4H2/c21-18-10-14-9-15(24-17(14)12-23-18)19(27)25-16(8-13-4-3-5-22-11-13)20(28)26-6-1-2-7-26;1-27-19(26)17(24)13(7-11-5-3-2-4-6-11)23-18(25)14-8-12-9-16(20)21-10-15(12)22-14;19-15-7-10-6-13(22-14(10)8-21-15)17(25)23-12(16(24)18(26)27)5-9-1-3-11(20)4-2-9;1-24(2)18(26)14(6-11-4-3-5-20-9-11)23-17(25)13-7-12-8-16(19)21-10-15(12)22-13;1-24(2)18(26)14(9-12-5-3-4-6-20-12)23-17(25)13-7-11-8-16(19)21-10-15(11)22-13;1-24-12-4-2-10(3-5-12)15(22)9-20-17(23)13-6-11-7-16(18)19-8-14(11)21-13;17-15-6-10-5-12(21-13(10)7-19-15)16(23)20-8-14(22)9-1-3-11(18)4-2-9;;;;/h3-5,9-12,16,24H,1-2,6-8H2,(H,25,27);2-6,8-10,13,17,22,24H,7H2,1H3,(H,23,25);1-4,6-8,12,16,22,24H,5H2,(H,23,25)(H,26,27);3-5,7-10,14,22H,6H2,1-2H3,(H,23,25);3-8,10,14,22H,9H2,1-2H3,(H,23,25);2-8,21H,9H2,1H3,(H,20,23);1-7,14,21-22H,8H2,(H,20,23);4*1H/t16-;13-,17+;12-,16+;2*14-;;;;;;/m00000....../s1
InChIKeyHJXIJDGJUWGKPY-UNUWVECLSA-N
XLogP17.53
TPSA654.65 Ų
H-Bond Donors18
H-Bond Acceptors28
Rotatable Bonds36
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002606.71
LogP ≤ 517.53
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-3-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-oxo-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2R,3S)-3-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-4-(4-fluorophenyl)-2-hydroxybutanoic acid;methyl (2R,3S)-3-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoate;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-3-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-oxo-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2R,3S)-3-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-4-(4-fluorophenyl)-2-hydroxybutanoic acid;methyl (2R,3S)-3-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoate;molecular hydrogen?
The IUPAC name of 5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-3-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-oxo-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2R,3S)-3-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-4-(4-fluorophenyl)-2-hydroxybutanoic acid;methyl (2R,3S)-3-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoate;molecular hydrogen (CID 158501154) is 5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-3-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-oxo-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2R,3S)-3-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-4-(4-fluorophenyl)-2-hydroxybutanoic acid;methyl (2R,3S)-3-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoate;molecular hydrogen.
What is the SMILES notation for 5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-3-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-oxo-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2R,3S)-3-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-4-(4-fluorophenyl)-2-hydroxybutanoic acid;methyl (2R,3S)-3-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoate;molecular hydrogen?
The canonical SMILES for 5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-3-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-oxo-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2R,3S)-3-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-4-(4-fluorophenyl)-2-hydroxybutanoic acid;methyl (2R,3S)-3-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoate;molecular hydrogen is CN(C)C(=O)[C@H](Cc1ccccn1)NC(=O)c1cc2cc(Cl)ncc2[nH]1.CN(C)C(=O)[C@H](Cc1cccnc1)NC(=O)c1cc2cc(Cl)ncc2[nH]1.COC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ncc2[nH]1.COc1ccc(C(=O)CNC(=O)c2cc3cc(Cl)ncc3[nH]2)cc1.O=C(NCC(O)c1ccc(F)cc1)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](Cc1ccc(F)cc1)[C@@H](O)C(=O)O)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](Cc1cccnc1)C(=O)N1CCCC1)c1cc2cc(Cl)ncc2[nH]1.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-3-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-oxo-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2R,3S)-3-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-4-(4-fluorophenyl)-2-hydroxybutanoic acid;methyl (2R,3S)-3-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoate;molecular hydrogen?
The InChIKey is HJXIJDGJUWGKPY-UNUWVECLSA-N. The full InChI is InChI=1S/C20H20ClN5O2.C19H18ClN3O4.C18H15ClFN3O4.2C18H18ClN5O2.C17H14ClN3O3.C16H13ClFN3O2.4H2/c21-18-10-14-9-15(24-17(14)12-23-18)19(27)25-16(8-13-4-3-5-22-11-13)20(28)26-6-1-2-7-26;1-27-19(26)17(24)13(7-11-5-3-2-4-6-11)23-18(25)14-8-12-9-16(20)21-10-15(12)22-14;19-15-7-10-6-13(22-14(10)8-21-15)17(25)23-12(16(24)18(26)27)5-9-1-3-11(20)4-2-9;1-24(2)18(26)14(6-11-4-3-5-20-9-11)23-17(25)13-7-12-8-16(19)21-10-15(12)22-13;1-24(2)18(26)14(9-12-5-3-4-6-20-12)23-17(25)13-7-11-8-16(19)21-10-15(11)22-13;1-24-12-4-2-10(3-5-12)15(22)9-20-17(23)13-6-11-7-16(18)19-8-14(11)21-13;17-15-6-10-5-12(21-13(10)7-19-15)16(23)20-8-14(22)9-1-3-11(18)4-2-9;;;;/h3-5,9-12,16,24H,1-2,6-8H2,(H,25,27);2-6,8-10,13,17,22,24H,7H2,1H3,(H,23,25);1-4,6-8,12,16,22,24H,5H2,(H,23,25)(H,26,27);3-5,7-10,14,22H,6H2,1-2H3,(H,23,25);3-8,10,14,22H,9H2,1-2H3,(H,23,25);2-8,21H,9H2,1H3,(H,20,23);1-7,14,21-22H,8H2,(H,20,23);4*1H/t16-;13-,17+;12-,16+;2*14-;;;;;;/m00000....../s1.
What are the key properties of 5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-3-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-oxo-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2R,3S)-3-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-4-(4-fluorophenyl)-2-hydroxybutanoic acid;methyl (2R,3S)-3-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoate;molecular hydrogen?
5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-3-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-oxo-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2R,3S)-3-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-4-(4-fluorophenyl)-2-hydroxybutanoic acid;methyl (2R,3S)-3-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoate;molecular hydrogen has a molecular weight of 2606.71 g/mol, XLogP of 17.53, 36 rotatable bonds, 18 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-2-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-1-oxo-3-pyridin-3-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-oxo-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;(2R,3S)-3-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-4-(4-fluorophenyl)-2-hydroxybutanoic acid;methyl (2R,3S)-3-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoate;molecular hydrogen is sourced from PubChem (CID 158501154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).