6-[2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C22H21ClF2N6O — CID 136629172

IUPAC6-[2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CCC2c2cn3ccc(Cl)cc3n2)nc2c1cnn2C1CCC(F)(F)CC1
InChIInChI=1S/C22H21ClF2N6O/c23-12-5-8-30-11-17(27-18(30)9-12)14-1-2-15(14)19-28-20-16(21(32)29-19)10-26-31(20)13-3-6-22(24,25)7-4-13/h5,8-11,13-15H,1-4,6-7H2,(H,28,29,32)
InChIKeyOZWQZFMVTNBDQN-UHFFFAOYSA-N
MW458.90 g/mol
LogP4.83
Rot. Bonds3

About 6-[2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136629172) has the molecular formula C22H21ClF2N6O and a molecular weight of 458.90 g/mol. Its IUPAC name is 6-[2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136629172
Molecular FormulaC22H21ClF2N6O
Molecular Weight458.90 g/mol
Exact Mass458.14
IUPAC Name6-[2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CCC2c2cn3ccc(Cl)cc3n2)nc2c1cnn2C1CCC(F)(F)CC1
InChIInChI=1S/C22H21ClF2N6O/c23-12-5-8-30-11-17(27-18(30)9-12)14-1-2-15(14)19-28-20-16(21(32)29-19)10-26-31(20)13-3-6-22(24,25)7-4-13/h5,8-11,13-15H,1-4,6-7H2,(H,28,29,32)
InChIKeyOZWQZFMVTNBDQN-UHFFFAOYSA-N
XLogP4.83
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.90
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

6-[(1S,2R)-2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136629170
6-[(1R,2S)-2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136641906
1-(4-fluoro-4-methylcyclohexyl)-6-[(1R,2R)-2-imidazo[1,2-a]pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136641899
1-(4,4-difluorocyclohexyl)-6-[(2R)-2-pyridin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137100342
1-(4,4-difluorocyclohexyl)-6-[(2R)-2-[2-(dimethylamino)-1,3-thiazol-4-yl]cyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137100399
1-(4,4-difluorocyclohexyl)-6-[(1R)-2-(4,5-dimethyl-1,3-oxazol-2-yl)cyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137100338
cis-(1S,2R)-2-[1-(4,4-difluorocyclohexyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-N-[(Z)-ethylideneamino]cyclobutane-1-carboxamide
CID 137138384
1-(4,4-difluorocyclohexyl)-6-[2-[hydroxy(morpholin-4-yl)methyl]cyclohexyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137022472
6-[(1R,2S)-2-(2-chloro-1,3-thiazol-4-yl)cyclobutyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(1S,2R)-2-(2-chloro-1,3-thiazol-4-yl)cyclobutyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1R,2R)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(1S,2S)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-(2-pyrimidin-2-ylcyclobutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 160985692
6-[(1R,2R)-2-[2-(dimethylamino)-1,3-thiazol-4-yl]cyclobutyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[2-[2-(dimethylamino)-1,3-thiazol-4-yl]cyclobutyl]-1-(4-fluoro-4-methylcyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(1R,2S)-2-(2-methyl-1,3-thiazol-4-yl)cyclobutyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(1S,2R)-2-(2-methyl-1,3-thiazol-4-yl)cyclobutyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2S)-2-(2-methyl-1,3-thiazol-4-yl)cyclobutyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 160853445
1-(oxan-4-yl)-6-[(1S)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137100350
1-(4,4-difluorocyclohexyl)-6-[(2-nitrophenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137176912

Frequently Asked Questions

What is the IUPAC name of 6-[2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 136629172) is 6-[2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]c(C2CCC2c2cn3ccc(Cl)cc3n2)nc2c1cnn2C1CCC(F)(F)CC1.
What is the InChIKey of 6-[2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is OZWQZFMVTNBDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF2N6O/c23-12-5-8-30-11-17(27-18(30)9-12)14-1-2-15(14)19-28-20-16(21(32)29-19)10-26-31(20)13-3-6-22(24,25)7-4-13/h5,8-11,13-15H,1-4,6-7H2,(H,28,29,32).
What are the key properties of 6-[2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 458.90 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(7-chloroimidazo[1,2-a]pyridin-2-yl)cyclobutyl]-1-(4,4-difluorocyclohexyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136629172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).