6-[[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]amino]-1-(3-hydroxy-3-methylbutyl)-3-methylimidazo[4,5-c]pyridin-2-one

C22H27ClF2N6O2 — CID 135386937

IUPAC6-[[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]amino]-1-(3-hydroxy-3-methylbutyl)-3-methylimidazo[4,5-c]pyridin-2-one
SMILESCn1c(=O)n(CCC(C)(C)O)c2cc(Nc3cc(N4CCC(F)(F)CC4)ncc3Cl)ncc21
InChIInChI=1S/C22H27ClF2N6O2/c1-21(2,33)4-9-31-16-11-18(26-13-17(16)29(3)20(31)32)28-15-10-19(27-12-14(15)23)30-7-5-22(24,25)6-8-30/h10-13,33H,4-9H2,1-3H3,(H,26,27,28)
InChIKeyZJDKXWZQHXISBK-UHFFFAOYSA-N
MW480.95 g/mol
LogP3.92
Rot. Bonds6

About 6-[[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]amino]-1-(3-hydroxy-3-methylbutyl)-3-methylimidazo[4,5-c]pyridin-2-one

6-[[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]amino]-1-(3-hydroxy-3-methylbutyl)-3-methylimidazo[4,5-c]pyridin-2-one (PubChem CID 135386937) has the molecular formula C22H27ClF2N6O2 and a molecular weight of 480.95 g/mol. Its IUPAC name is 6-[[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]amino]-1-(3-hydroxy-3-methylbutyl)-3-methylimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name6-[[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]amino]-1-(3-hydroxy-3-methylbutyl)-3-methylimidazo[4,5-c]pyridin-2-one
PubChem CID135386937
Molecular FormulaC22H27ClF2N6O2
Molecular Weight480.95 g/mol
Exact Mass480.19
IUPAC Name6-[[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]amino]-1-(3-hydroxy-3-methylbutyl)-3-methylimidazo[4,5-c]pyridin-2-one
SMILESCn1c(=O)n(CCC(C)(C)O)c2cc(Nc3cc(N4CCC(F)(F)CC4)ncc3Cl)ncc21
InChIInChI=1S/C22H27ClF2N6O2/c1-21(2,33)4-9-31-16-11-18(26-13-17(16)29(3)20(31)32)28-15-10-19(27-12-14(15)23)30-7-5-22(24,25)6-8-30/h10-13,33H,4-9H2,1-3H3,(H,26,27,28)
InChIKeyZJDKXWZQHXISBK-UHFFFAOYSA-N
XLogP3.92
TPSA88.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.95
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]amino]-1-(3-hydroxy-3-methylbutyl)-3-methylimidazo[4,5-c]pyridin-2-one with MolForge

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Related Compounds

Bcl6-IN-3
CID 135386938
5-[[5-Chloro-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-3-(3-hydroxy-3-methylbutyl)-1-methylbenzimidazol-2-one
CID 135386361
5-[(5-Chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-3-(3-hydroxy-3-methylbutyl)-1-methylbenzimidazol-2-one
CID 135386844
5-[[5-Chloro-2-(4,4-difluoro-3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-3-(3-hydroxy-3-methylbutyl)-1-methylbenzimidazol-2-one
CID 135386845
5-[[5-Chloro-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-3-(3-hydroxy-3-methylbutyl)-1-methylbenzimidazol-2-one
CID 135386892
5-[[5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]amino]-3-(3-hydroxy-3-methylbutyl)-1-methylbenzimidazol-2-one
CID 135386897
5-[[5-Chloro-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]amino]-3-(3-hydroxy-3-methylbutyl)-1-methylbenzimidazol-2-one
CID 152233765
4-amino-1-[[2-[4-(3-methoxypropyl)piperazin-1-yl]-4-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 56669246
5-[[5-chloro-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-4-pyridinyl]amino]-3-(3-hydroxy-3-methylbutyl)-1-methylbenzimidazol-2-one
CID 135386269
1-[1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]-3-pyridin-3-ylurea
CID 153157010
US12110286, Example 20q
CID 135385981
US12110286, Example 29d
CID 135386890

Frequently Asked Questions

What is the IUPAC name of 6-[[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]amino]-1-(3-hydroxy-3-methylbutyl)-3-methylimidazo[4,5-c]pyridin-2-one?
The IUPAC name of 6-[[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]amino]-1-(3-hydroxy-3-methylbutyl)-3-methylimidazo[4,5-c]pyridin-2-one (CID 135386937) is 6-[[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]amino]-1-(3-hydroxy-3-methylbutyl)-3-methylimidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 6-[[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]amino]-1-(3-hydroxy-3-methylbutyl)-3-methylimidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 6-[[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]amino]-1-(3-hydroxy-3-methylbutyl)-3-methylimidazo[4,5-c]pyridin-2-one is Cn1c(=O)n(CCC(C)(C)O)c2cc(Nc3cc(N4CCC(F)(F)CC4)ncc3Cl)ncc21.
What is the InChIKey of 6-[[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]amino]-1-(3-hydroxy-3-methylbutyl)-3-methylimidazo[4,5-c]pyridin-2-one?
The InChIKey is ZJDKXWZQHXISBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClF2N6O2/c1-21(2,33)4-9-31-16-11-18(26-13-17(16)29(3)20(31)32)28-15-10-19(27-12-14(15)23)30-7-5-22(24,25)6-8-30/h10-13,33H,4-9H2,1-3H3,(H,26,27,28).
What are the key properties of 6-[[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]amino]-1-(3-hydroxy-3-methylbutyl)-3-methylimidazo[4,5-c]pyridin-2-one?
6-[[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]amino]-1-(3-hydroxy-3-methylbutyl)-3-methylimidazo[4,5-c]pyridin-2-one has a molecular weight of 480.95 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]amino]-1-(3-hydroxy-3-methylbutyl)-3-methylimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 135386937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).