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

C24H18F2N6O2 — CID 59362431

IUPAC1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazol-2-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ncc(-c2c[nH]c3ncccc23)[nH]1)c1cccn(Cc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C24H18F2N6O2/c25-18-6-5-14(9-19(18)26)13-32-8-2-4-16(24(32)34)23(33)30-12-21-28-11-20(31-21)17-10-29-22-15(17)3-1-7-27-22/h1-11H,12-13H2,(H,27,29)(H,28,31)(H,30,33)
InChIKeyZIZAXZDWEAIAKV-UHFFFAOYSA-N
MW460.44 g/mol
LogP3.37
Rot. Bonds6

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

1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazol-2-yl]methyl]pyridine-3-carboxamide (PubChem CID 59362431) has the molecular formula C24H18F2N6O2 and a molecular weight of 460.44 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazol-2-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazol-2-yl]methyl]pyridine-3-carboxamide
PubChem CID59362431
Molecular FormulaC24H18F2N6O2
Molecular Weight460.44 g/mol
Exact Mass460.15
IUPAC Name1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazol-2-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ncc(-c2c[nH]c3ncccc23)[nH]1)c1cccn(Cc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C24H18F2N6O2/c25-18-6-5-14(9-19(18)26)13-32-8-2-4-16(24(32)34)23(33)30-12-21-28-11-20(31-21)17-10-29-22-15(17)3-1-7-27-22/h1-11H,12-13H2,(H,27,29)(H,28,31)(H,30,33)
InChIKeyZIZAXZDWEAIAKV-UHFFFAOYSA-N
XLogP3.37
TPSA108.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.44
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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)-1H-imidazol-2-yl]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)-1H-imidazol-2-yl]methyl]pyridine-3-carboxamide (CID 59362431) is 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazol-2-yl]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)-1H-imidazol-2-yl]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)-1H-imidazol-2-yl]methyl]pyridine-3-carboxamide is O=C(NCc1ncc(-c2c[nH]c3ncccc23)[nH]1)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)-1H-imidazol-2-yl]methyl]pyridine-3-carboxamide?
The InChIKey is ZIZAXZDWEAIAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N6O2/c25-18-6-5-14(9-19(18)26)13-32-8-2-4-16(24(32)34)23(33)30-12-21-28-11-20(31-21)17-10-29-22-15(17)3-1-7-27-22/h1-11H,12-13H2,(H,27,29)(H,28,31)(H,30,33).
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazol-2-yl]methyl]pyridine-3-carboxamide?
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazol-2-yl]methyl]pyridine-3-carboxamide has a molecular weight of 460.44 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 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)-1H-imidazol-2-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 59362431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).