1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide

C26H19F2N5O2 — CID 59362406

IUPAC1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cncc(-c2c[nH]c3ncccc23)c1)c1cccn(Cc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C26H19F2N5O2/c27-22-6-5-16(10-23(22)28)15-33-8-2-4-20(26(33)35)25(34)32-12-17-9-18(13-29-11-17)21-14-31-24-19(21)3-1-7-30-24/h1-11,13-14H,12,15H2,(H,30,31)(H,32,34)
InChIKeyZEFYLZOPORIMLO-UHFFFAOYSA-N
MW471.47 g/mol
LogP4.04
Rot. Bonds6

About 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide

1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide (PubChem CID 59362406) has the molecular formula C26H19F2N5O2 and a molecular weight of 471.47 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
PubChem CID59362406
Molecular FormulaC26H19F2N5O2
Molecular Weight471.47 g/mol
Exact Mass471.15
IUPAC Name1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cncc(-c2c[nH]c3ncccc23)c1)c1cccn(Cc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C26H19F2N5O2/c27-22-6-5-16(10-23(22)28)15-33-8-2-4-20(26(33)35)25(34)32-12-17-9-18(13-29-11-17)21-14-31-24-19(21)3-1-7-30-24/h1-11,13-14H,12,15H2,(H,30,31)(H,32,34)
InChIKeyZEFYLZOPORIMLO-UHFFFAOYSA-N
XLogP4.04
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.47
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-oxo-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 59362665
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
tert-butyl 4-[3-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenoxy]piperidine-1-carboxylate
CID 123493332
3-[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]propanoic acid
CID 68607888
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-3-carboxamide
CID 59362727
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]pyridine-3-carboxamide
CID 59362777
2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
CID 59362697
1-[(3,4-difluorophenyl)methyl]-N-[[3-[4-ethenyl-5-(ethenylsulfanylamino)-1H-pyrrol-3-yl]phenyl]methyl]-2-oxopyridine-3-carboxamide
CID 163574993
1-[(3,4-difluorophenyl)methyl]-N-[(4-ethoxyquinolin-6-yl)methyl]-2-oxopyridine-3-carboxamide
CID 67477836
tert-butyl N-(1H-pyrrolo[2,3-b]pyridine-3-carbonylamino)carbamate;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-3-carboxamide;N'-[2-(methylamino)acetyl]-1H-pyrrolo[2,3-b]pyridine-3-carbohydrazide;N-methyl-1-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 160823406
3-[3-[3-[1-[(3,4-difluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-oxopropyl]phenyl]-N-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 159469347
4-(7H-cyclopenta[b]pyridin-5-yl)-6-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]pyridine-2-carboxylic acid
CID 147339914

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 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) is 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide is O=C(NCc1cncc(-c2c[nH]c3ncccc23)c1)c1cccn(Cc2ccc(F)c(F)c2)c1=O.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide?
The InChIKey is ZEFYLZOPORIMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N5O2/c27-22-6-5-16(10-23(22)28)15-33-8-2-4-20(26(33)35)25(34)32-12-17-9-18(13-29-11-17)21-14-31-24-19(21)3-1-7-30-24/h1-11,13-14H,12,15H2,(H,30,31)(H,32,34).
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide?
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide has a molecular weight of 471.47 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 59362406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).