5-chloro-N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-hydroxypiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-methoxypropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C129H134Cl6N24O18S — CID 157209146

IUPAC5-chloro-N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-hydroxypiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-methoxypropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCOCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ncc2[nH]1.COC[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCC(O)C1)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCS(=O)(=O)CC1)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](CO)C1)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CC1)c1cc2cc(Cl)ncc2[nH]1
InChIInChI=1S/C23H25ClN4O3.2C22H23ClN4O3.C21H21ClN4O4S.C21H23ClN4O3.C20H19ClN4O2/c1-31-14-17-8-5-9-28(17)23(30)19(10-15-6-3-2-4-7-15)27-22(29)18-11-16-12-21(24)25-13-20(16)26-18;23-20-11-15-10-17(25-19(15)12-24-20)21(29)26-18(9-14-5-2-1-3-6-14)22(30)27-8-4-7-16(28)13-27;23-20-10-16-9-17(25-19(16)11-24-20)21(29)26-18(8-14-4-2-1-3-5-14)22(30)27-7-6-15(12-27)13-28;22-19-12-15-11-16(24-18(15)13-23-19)20(27)25-17(10-14-4-2-1-3-5-14)21(28)26-6-8-31(29,30)9-7-26;1-29-9-5-8-23-20(27)16(10-14-6-3-2-4-7-14)26-21(28)17-11-15-12-19(22)24-13-18(15)25-17;21-18-10-13-9-16(24-17(13)11-22-18)20(27)25-15(19(26)23-14-6-7-14)8-12-4-2-1-3-5-12/h2-4,6-7,11-13,17,19,26H,5,8-10,14H2,1H3,(H,27,29);1-3,5-6,10-12,16,18,25,28H,4,7-9,13H2,(H,26,29);1-5,9-11,15,18,25,28H,6-8,12-13H2,(H,26,29);1-5,11-13,17,24H,6-10H2,(H,25,27);2-4,6-7,11-13,16,25H,5,8-10H2,1H3,(H,23,27)(H,26,28);1-5,9-11,14-15,24H,6-8H2,(H,23,26)(H,25,27)/t17-,19-;16?,18-;15-,18+;17-;16-;15-/m001000/s1
InChIKeyARRQRWPIYVMLML-NHRIMFMHSA-N
MW2553.43 g/mol
LogP15.49
Rot. Bonds38

About 5-chloro-N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-hydroxypiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-methoxypropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

5-chloro-N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-hydroxypiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-methoxypropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 157209146) has the molecular formula C129H134Cl6N24O18S and a molecular weight of 2553.43 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-hydroxypiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-methoxypropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-hydroxypiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-methoxypropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID157209146
Molecular FormulaC129H134Cl6N24O18S
Molecular Weight2553.43 g/mol
Exact Mass2548.82
IUPAC Name5-chloro-N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-hydroxypiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-methoxypropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCOCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ncc2[nH]1.COC[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCC(O)C1)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCS(=O)(=O)CC1)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](CO)C1)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CC1)c1cc2cc(Cl)ncc2[nH]1
InChIInChI=1S/C23H25ClN4O3.2C22H23ClN4O3.C21H21ClN4O4S.C21H23ClN4O3.C20H19ClN4O2/c1-31-14-17-8-5-9-28(17)23(30)19(10-15-6-3-2-4-7-15)27-22(29)18-11-16-12-21(24)25-13-20(16)26-18;23-20-11-15-10-17(25-19(15)12-24-20)21(29)26-18(9-14-5-2-1-3-6-14)22(30)27-8-4-7-16(28)13-27;23-20-10-16-9-17(25-19(16)11-24-20)21(29)26-18(8-14-4-2-1-3-5-14)22(30)27-7-6-15(12-27)13-28;22-19-12-15-11-16(24-18(15)13-23-19)20(27)25-17(10-14-4-2-1-3-5-14)21(28)26-6-8-31(29,30)9-7-26;1-29-9-5-8-23-20(27)16(10-14-6-3-2-4-7-14)26-21(28)17-11-15-12-19(22)24-13-18(15)25-17;21-18-10-13-9-16(24-17(13)11-22-18)20(27)25-15(19(26)23-14-6-7-14)8-12-4-2-1-3-5-12/h2-4,6-7,11-13,17,19,26H,5,8-10,14H2,1H3,(H,27,29);1-3,5-6,10-12,16,18,25,28H,4,7-9,13H2,(H,26,29);1-5,9-11,15,18,25,28H,6-8,12-13H2,(H,26,29);1-5,11-13,17,24H,6-10H2,(H,25,27);2-4,6-7,11-13,16,25H,5,8-10H2,1H3,(H,23,27)(H,26,28);1-5,9-11,14-15,24H,6-8H2,(H,23,26)(H,25,27)/t17-,19-;16?,18-;15-,18+;17-;16-;15-/m001000/s1
InChIKeyARRQRWPIYVMLML-NHRIMFMHSA-N
XLogP15.49
TPSA579.18 Ų
H-Bond Donors16
H-Bond Acceptors24
Rotatable Bonds38
Heavy Atoms178
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002553.43
LogP ≤ 515.49
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 5-chloro-N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-hydroxypiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-methoxypropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-hydroxypiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-methoxypropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-hydroxypiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-methoxypropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 157209146) is 5-chloro-N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-hydroxypiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-methoxypropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-hydroxypiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-methoxypropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-hydroxypiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-methoxypropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is COCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ncc2[nH]1.COC[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCC(O)C1)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCS(=O)(=O)CC1)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](CO)C1)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CC1)c1cc2cc(Cl)ncc2[nH]1.
What is the InChIKey of 5-chloro-N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-hydroxypiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-methoxypropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is ARRQRWPIYVMLML-NHRIMFMHSA-N. The full InChI is InChI=1S/C23H25ClN4O3.2C22H23ClN4O3.C21H21ClN4O4S.C21H23ClN4O3.C20H19ClN4O2/c1-31-14-17-8-5-9-28(17)23(30)19(10-15-6-3-2-4-7-15)27-22(29)18-11-16-12-21(24)25-13-20(16)26-18;23-20-11-15-10-17(25-19(15)12-24-20)21(29)26-18(9-14-5-2-1-3-6-14)22(30)27-8-4-7-16(28)13-27;23-20-10-16-9-17(25-19(16)11-24-20)21(29)26-18(8-14-4-2-1-3-5-14)22(30)27-7-6-15(12-27)13-28;22-19-12-15-11-16(24-18(15)13-23-19)20(27)25-17(10-14-4-2-1-3-5-14)21(28)26-6-8-31(29,30)9-7-26;1-29-9-5-8-23-20(27)16(10-14-6-3-2-4-7-14)26-21(28)17-11-15-12-19(22)24-13-18(15)25-17;21-18-10-13-9-16(24-17(13)11-22-18)20(27)25-15(19(26)23-14-6-7-14)8-12-4-2-1-3-5-12/h2-4,6-7,11-13,17,19,26H,5,8-10,14H2,1H3,(H,27,29);1-3,5-6,10-12,16,18,25,28H,4,7-9,13H2,(H,26,29);1-5,9-11,15,18,25,28H,6-8,12-13H2,(H,26,29);1-5,11-13,17,24H,6-10H2,(H,25,27);2-4,6-7,11-13,16,25H,5,8-10H2,1H3,(H,23,27)(H,26,28);1-5,9-11,14-15,24H,6-8H2,(H,23,26)(H,25,27)/t17-,19-;16?,18-;15-,18+;17-;16-;15-/m001000/s1.
What are the key properties of 5-chloro-N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-hydroxypiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-methoxypropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
5-chloro-N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-hydroxypiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-methoxypropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 2553.43 g/mol, XLogP of 15.49, 38 rotatable bonds, 16 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-hydroxypiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(3-methoxypropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 157209146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).