5-chloro-2-(4,4-difluoroazepan-1-yl)-4-methyl-6-(1-methylpyrazol-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide

C22H23ClF2N6O — CID 169124312

IUPAC5-chloro-2-(4,4-difluoroazepan-1-yl)-4-methyl-6-(1-methylpyrazol-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide
SMILESCc1c(Cl)c(-c2cnn(C)c2)nc(N2CCCC(F)(F)CC2)c1C(=O)Nc1ccncc1
InChIInChI=1S/C22H23ClF2N6O/c1-14-17(21(32)28-16-4-8-26-9-5-16)20(31-10-3-6-22(24,25)7-11-31)29-19(18(14)23)15-12-27-30(2)13-15/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,26,28,32)
InChIKeyZATIJFIHJGFXJI-UHFFFAOYSA-N
MW460.92 g/mol
LogP4.72
Rot. Bonds4

About 5-chloro-2-(4,4-difluoroazepan-1-yl)-4-methyl-6-(1-methylpyrazol-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide

5-chloro-2-(4,4-difluoroazepan-1-yl)-4-methyl-6-(1-methylpyrazol-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide (PubChem CID 169124312) has the molecular formula C22H23ClF2N6O and a molecular weight of 460.92 g/mol. Its IUPAC name is 5-chloro-2-(4,4-difluoroazepan-1-yl)-4-methyl-6-(1-methylpyrazol-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(4,4-difluoroazepan-1-yl)-4-methyl-6-(1-methylpyrazol-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide
PubChem CID169124312
Molecular FormulaC22H23ClF2N6O
Molecular Weight460.92 g/mol
Exact Mass460.16
IUPAC Name5-chloro-2-(4,4-difluoroazepan-1-yl)-4-methyl-6-(1-methylpyrazol-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide
SMILESCc1c(Cl)c(-c2cnn(C)c2)nc(N2CCCC(F)(F)CC2)c1C(=O)Nc1ccncc1
InChIInChI=1S/C22H23ClF2N6O/c1-14-17(21(32)28-16-4-8-26-9-5-16)20(31-10-3-6-22(24,25)7-11-31)29-19(18(14)23)15-12-27-30(2)13-15/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,26,28,32)
InChIKeyZATIJFIHJGFXJI-UHFFFAOYSA-N
XLogP4.72
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.92
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-(4,4-difluoroazepan-1-yl)-4-methyl-6-(1-methylpyrazol-4-yl)-N-[2-(methylsulfonimidoyl)-4-pyridinyl]pyridine-3-carboxamide
CID 169124947
2-(4,4-difluoroazepan-1-yl)-4-methyl-N-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 169124791
5-chloro-6-cyano-2-(4,4-difluoroazepan-1-yl)-4-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 169123723
3-(4,4-difluoroazepan-1-yl)-5-methyl-N,6-diphenylpyridazine-4-carboxamide;methanethiol
CID 169124937
3-(4,4-difluoroazepan-1-yl)-5-methyl-N-(3-methylphenyl)-6-(4-methylphenyl)pyridazine-4-carboxamide
CID 169124316
2-(4,4-difluoroazepan-1-yl)-5-(1-ethylpyrazol-4-yl)-4-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 169124775
tert-butyl N-[[3-[[2-(4,4-difluoroazepan-1-yl)-4-methyl-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]phenyl]-methyl-oxo-λ6-sulfanylidene]carbamate
CID 169124887
2-(4,4-difluoroazepan-1-yl)-5-(3,3-difluoroazetidin-1-yl)-4-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 169124720
2-(4,4-difluoroazepan-1-yl)-5-(3,4-dihydroxyphenyl)-4-methyl-N-(3-methylphenyl)pyridine-3-carboxamide;ethane;molecular hydrogen
CID 176694721
2-(4,4-difluoroazepan-1-yl)-4-methyl-N-[(2E,4E)-5-(methyl-methylidene-oxo-λ6-sulfanyl)hepta-2,4-dien-3-yl]-5-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;ethane
CID 176694581
2-(4,4-difluoroazepan-1-yl)-5-methoxy-4-methyl-N-[2-(methylsulfonimidoyl)-4-pyridinyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 176694105
strontium;carbanide;5-cyano-2-(4,4-difluoroazepan-1-yl)-4-methyl-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 169123983

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4,4-difluoroazepan-1-yl)-4-methyl-6-(1-methylpyrazol-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-2-(4,4-difluoroazepan-1-yl)-4-methyl-6-(1-methylpyrazol-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide (CID 169124312) is 5-chloro-2-(4,4-difluoroazepan-1-yl)-4-methyl-6-(1-methylpyrazol-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-2-(4,4-difluoroazepan-1-yl)-4-methyl-6-(1-methylpyrazol-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-2-(4,4-difluoroazepan-1-yl)-4-methyl-6-(1-methylpyrazol-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide is Cc1c(Cl)c(-c2cnn(C)c2)nc(N2CCCC(F)(F)CC2)c1C(=O)Nc1ccncc1.
What is the InChIKey of 5-chloro-2-(4,4-difluoroazepan-1-yl)-4-methyl-6-(1-methylpyrazol-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide?
The InChIKey is ZATIJFIHJGFXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClF2N6O/c1-14-17(21(32)28-16-4-8-26-9-5-16)20(31-10-3-6-22(24,25)7-11-31)29-19(18(14)23)15-12-27-30(2)13-15/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,26,28,32).
What are the key properties of 5-chloro-2-(4,4-difluoroazepan-1-yl)-4-methyl-6-(1-methylpyrazol-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide?
5-chloro-2-(4,4-difluoroazepan-1-yl)-4-methyl-6-(1-methylpyrazol-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide has a molecular weight of 460.92 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4,4-difluoroazepan-1-yl)-4-methyl-6-(1-methylpyrazol-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 169124312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).