2,6-difluoro-N-[3-methyl-1-oxo-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-yl]benzamide

C24H24F2N4O2 — CID 42939014

IUPAC2,6-difluoro-N-[3-methyl-1-oxo-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1c(F)cccc1F)C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C24H24F2N4O2/c1-14(2)21(29-23(31)20-18(25)6-3-7-19(20)26)24(32)30-11-8-15(9-12-30)17-13-28-22-16(17)5-4-10-27-22/h3-8,10,13-14,21H,9,11-12H2,1-2H3,(H,27,28)(H,29,31)
InChIKeyBYPHPTLZUUKPND-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.91
Rot. Bonds5

About 2,6-difluoro-N-[3-methyl-1-oxo-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-yl]benzamide

2,6-difluoro-N-[3-methyl-1-oxo-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-yl]benzamide (PubChem CID 42939014) has the molecular formula C24H24F2N4O2 and a molecular weight of 438.48 g/mol. Its IUPAC name is 2,6-difluoro-N-[3-methyl-1-oxo-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[3-methyl-1-oxo-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-yl]benzamide
PubChem CID42939014
Molecular FormulaC24H24F2N4O2
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC Name2,6-difluoro-N-[3-methyl-1-oxo-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1c(F)cccc1F)C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C24H24F2N4O2/c1-14(2)21(29-23(31)20-18(25)6-3-7-19(20)26)24(32)30-11-8-15(9-12-30)17-13-28-22-16(17)5-4-10-27-22/h3-8,10,13-14,21H,9,11-12H2,1-2H3,(H,27,28)(H,29,31)
InChIKeyBYPHPTLZUUKPND-UHFFFAOYSA-N
XLogP3.91
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,6-difluoro-N-[3-methyl-1-oxo-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-yl]benzamide with MolForge

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Related Compounds

2-(3-methylphenoxy)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
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(3,4-difluorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
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[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone
CID 24632257
(2S)-2-(4-nitrophenyl)sulfanyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 94618413
4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzamide
CID 75466601
N-[(3-fluorophenyl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
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1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-one
CID 24676138
N-[2-oxo-1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]thiophene-2-carboxamide
CID 24676118
N-[2-(4-fluorophenyl)ethyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 44632510
N-[3-oxo-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzamide
CID 24632245
1-[5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 42032790
N-[chloro-(2-chlorophenyl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 68708626

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[3-methyl-1-oxo-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[3-methyl-1-oxo-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-yl]benzamide (CID 42939014) is 2,6-difluoro-N-[3-methyl-1-oxo-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[3-methyl-1-oxo-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[3-methyl-1-oxo-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-yl]benzamide is CC(C)C(NC(=O)c1c(F)cccc1F)C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1.
What is the InChIKey of 2,6-difluoro-N-[3-methyl-1-oxo-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-yl]benzamide?
The InChIKey is BYPHPTLZUUKPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O2/c1-14(2)21(29-23(31)20-18(25)6-3-7-19(20)26)24(32)30-11-8-15(9-12-30)17-13-28-22-16(17)5-4-10-27-22/h3-8,10,13-14,21H,9,11-12H2,1-2H3,(H,27,28)(H,29,31).
What are the key properties of 2,6-difluoro-N-[3-methyl-1-oxo-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-yl]benzamide?
2,6-difluoro-N-[3-methyl-1-oxo-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-yl]benzamide has a molecular weight of 438.48 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[3-methyl-1-oxo-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-yl]benzamide is sourced from PubChem (CID 42939014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).