(3-aminophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-3-carboxamide;3-nitrobenzoyl chloride;(3-nitrophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine

C69H48ClF2N13O10 — CID 157187021

IUPAC(3-aminophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-3-carboxamide;3-nitrobenzoyl chloride;(3-nitrophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine
SMILESNc1cccc(C(=O)c2c[nH]c3ncccc23)c1.O=C(Cl)c1cccc([N+](=O)[O-])c1.O=C(Nc1cccc(C(=O)c2c[nH]c3ncccc23)c1)c1cccn(Cc2ccc(F)c(F)c2)c1=O.O=C(c1cccc([N+](=O)[O-])c1)c1c[nH]c2ncccc12.c1cnc2[nH]ccc2c1
InChIInChI=1S/C27H18F2N4O3.C14H9N3O3.C14H11N3O.C7H4ClNO3.C7H6N2/c28-22-9-8-16(12-23(22)29)15-33-11-3-7-20(27(33)36)26(35)32-18-5-1-4-17(13-18)24(34)21-14-31-25-19(21)6-2-10-30-25;18-13(9-3-1-4-10(7-9)17(19)20)12-8-16-14-11(12)5-2-6-15-14;15-10-4-1-3-9(7-10)13(18)12-8-17-14-11(12)5-2-6-16-14;8-7(10)5-2-1-3-6(4-5)9(11)12;1-2-6-3-5-9-7(6)8-4-1/h1-14H,15H2,(H,30,31)(H,32,35);1-8H,(H,15,16);1-8H,15H2,(H,16,17);1-4H;1-5H,(H,8,9)
InChIKeyAPFXLYUMOKXCNZ-UHFFFAOYSA-N
MW1292.67 g/mol
LogP13.15
Rot. Bonds13

About (3-aminophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-3-carboxamide;3-nitrobenzoyl chloride;(3-nitrophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine

(3-aminophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-3-carboxamide;3-nitrobenzoyl chloride;(3-nitrophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine (PubChem CID 157187021) has the molecular formula C69H48ClF2N13O10 and a molecular weight of 1292.67 g/mol. Its IUPAC name is (3-aminophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-3-carboxamide;3-nitrobenzoyl chloride;(3-nitrophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name(3-aminophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-3-carboxamide;3-nitrobenzoyl chloride;(3-nitrophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine
PubChem CID157187021
Molecular FormulaC69H48ClF2N13O10
Molecular Weight1292.67 g/mol
Exact Mass1291.33
IUPAC Name(3-aminophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-3-carboxamide;3-nitrobenzoyl chloride;(3-nitrophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine
SMILESNc1cccc(C(=O)c2c[nH]c3ncccc23)c1.O=C(Cl)c1cccc([N+](=O)[O-])c1.O=C(Nc1cccc(C(=O)c2c[nH]c3ncccc23)c1)c1cccn(Cc2ccc(F)c(F)c2)c1=O.O=C(c1cccc([N+](=O)[O-])c1)c1c[nH]c2ncccc12.c1cnc2[nH]ccc2c1
InChIInChI=1S/C27H18F2N4O3.C14H9N3O3.C14H11N3O.C7H4ClNO3.C7H6N2/c28-22-9-8-16(12-23(22)29)15-33-11-3-7-20(27(33)36)26(35)32-18-5-1-4-17(13-18)24(34)21-14-31-25-19(21)6-2-10-30-25;18-13(9-3-1-4-10(7-9)17(19)20)12-8-16-14-11(12)5-2-6-15-14;15-10-4-1-3-9(7-10)13(18)12-8-17-14-11(12)5-2-6-16-14;8-7(10)5-2-1-3-6(4-5)9(11)12;1-2-6-3-5-9-7(6)8-4-1/h1-14H,15H2,(H,30,31)(H,32,35);1-8H,(H,15,16);1-8H,15H2,(H,16,17);1-4H;1-5H,(H,8,9)
InChIKeyAPFXLYUMOKXCNZ-UHFFFAOYSA-N
XLogP13.15
TPSA346.40 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001292.67
LogP ≤ 513.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-3-carboxamide
CID 59362727
(3-aminophenyl)-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-methyl-1H-pyrrolo[2,3-b]pyridine;(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-nitrophenyl)methanone;3-nitrobenzoyl chloride
CID 159743808
N-(3-acetylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599212
1-[(3-methylphenyl)methyl]-N-(3-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7598295
N-(3-methylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599175
[3-[(3,4-difluoroanilino)methylamino]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 143384675
1-[(3,4-difluorophenyl)methyl]-3-[3-[1-oxido-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-1-ium-3-yl]propanoyl]pyridin-2-one
CID 153041308
N-(3,5-dimethylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599231
N-(2,5-difluorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599222
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 59362406
1-[(3-chlorophenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7599112
1-[(3-chlorophenyl)methyl]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7599052

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-3-carboxamide;3-nitrobenzoyl chloride;(3-nitrophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of (3-aminophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-3-carboxamide;3-nitrobenzoyl chloride;(3-nitrophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine (CID 157187021) is (3-aminophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-3-carboxamide;3-nitrobenzoyl chloride;(3-nitrophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for (3-aminophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-3-carboxamide;3-nitrobenzoyl chloride;(3-nitrophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for (3-aminophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-3-carboxamide;3-nitrobenzoyl chloride;(3-nitrophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine is Nc1cccc(C(=O)c2c[nH]c3ncccc23)c1.O=C(Cl)c1cccc([N+](=O)[O-])c1.O=C(Nc1cccc(C(=O)c2c[nH]c3ncccc23)c1)c1cccn(Cc2ccc(F)c(F)c2)c1=O.O=C(c1cccc([N+](=O)[O-])c1)c1c[nH]c2ncccc12.c1cnc2[nH]ccc2c1.
What is the InChIKey of (3-aminophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-3-carboxamide;3-nitrobenzoyl chloride;(3-nitrophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine?
The InChIKey is APFXLYUMOKXCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F2N4O3.C14H9N3O3.C14H11N3O.C7H4ClNO3.C7H6N2/c28-22-9-8-16(12-23(22)29)15-33-11-3-7-20(27(33)36)26(35)32-18-5-1-4-17(13-18)24(34)21-14-31-25-19(21)6-2-10-30-25;18-13(9-3-1-4-10(7-9)17(19)20)12-8-16-14-11(12)5-2-6-15-14;15-10-4-1-3-9(7-10)13(18)12-8-17-14-11(12)5-2-6-16-14;8-7(10)5-2-1-3-6(4-5)9(11)12;1-2-6-3-5-9-7(6)8-4-1/h1-14H,15H2,(H,30,31)(H,32,35);1-8H,(H,15,16);1-8H,15H2,(H,16,17);1-4H;1-5H,(H,8,9).
What are the key properties of (3-aminophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-3-carboxamide;3-nitrobenzoyl chloride;(3-nitrophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine?
(3-aminophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-3-carboxamide;3-nitrobenzoyl chloride;(3-nitrophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1292.67 g/mol, XLogP of 13.15, 13 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-3-carboxamide;3-nitrobenzoyl chloride;(3-nitrophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 157187021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).