azepan-1-yl-(5-cyclohexyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone

C22H32N4O — CID 167206284

IUPACazepan-1-yl-(5-cyclohexyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCC(C)c1cc(C2CCCCC2)nc2cc(C(=O)N3CCCCCC3)nn12
InChIInChI=1S/C22H32N4O/c1-16(2)20-14-18(17-10-6-5-7-11-17)23-21-15-19(24-26(20)21)22(27)25-12-8-3-4-9-13-25/h14-17H,3-13H2,1-2H3
InChIKeyISKNTEFHNIZGLO-UHFFFAOYSA-N
MW368.53 g/mol
LogP4.92
Rot. Bonds3

About azepan-1-yl-(5-cyclohexyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone

azepan-1-yl-(5-cyclohexyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone (PubChem CID 167206284) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is azepan-1-yl-(5-cyclohexyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(5-cyclohexyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
PubChem CID167206284
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Nameazepan-1-yl-(5-cyclohexyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCC(C)c1cc(C2CCCCC2)nc2cc(C(=O)N3CCCCCC3)nn12
InChIInChI=1S/C22H32N4O/c1-16(2)20-14-18(17-10-6-5-7-11-17)23-21-15-19(24-26(20)21)22(27)25-12-8-3-4-9-13-25/h14-17H,3-13H2,1-2H3
InChIKeyISKNTEFHNIZGLO-UHFFFAOYSA-N
XLogP4.92
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-[5-(7-bicyclo[4.1.0]heptanyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 172500710
azepan-1-yl-[5-(2-bicyclo[2.2.1]heptanyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 167205916
[5-[(4-methylcyclohexyl)methyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
CID 167206328
azepan-1-yl-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 744096
azepan-1-yl-[5-(cyclohexylmethyl)-7-cyclopentylpyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 167206287
azepan-1-yl-[7-cycloheptyl-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 167206022
5-cycloheptyl-7-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 167205842
7-tert-butyl-5-cyclohexylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 167206273
[5-(cyclohexylmethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-(2,2-dimethylpiperidin-1-yl)methanone
CID 172500718
[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[2-(1-methylpyrazol-3-yl)azepan-1-yl]methanone
CID 46952817
[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19441537
[5-(4,4-dimethylcyclohexyl)-7-(N,2,6-trimethylanilino)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
CID 134320702

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(5-cyclohexyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone?
The IUPAC name of azepan-1-yl-(5-cyclohexyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone (CID 167206284) is azepan-1-yl-(5-cyclohexyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone.
What is the SMILES notation for azepan-1-yl-(5-cyclohexyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone?
The canonical SMILES for azepan-1-yl-(5-cyclohexyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone is CC(C)c1cc(C2CCCCC2)nc2cc(C(=O)N3CCCCCC3)nn12.
What is the InChIKey of azepan-1-yl-(5-cyclohexyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone?
The InChIKey is ISKNTEFHNIZGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-16(2)20-14-18(17-10-6-5-7-11-17)23-21-15-19(24-26(20)21)22(27)25-12-8-3-4-9-13-25/h14-17H,3-13H2,1-2H3.
What are the key properties of azepan-1-yl-(5-cyclohexyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone?
azepan-1-yl-(5-cyclohexyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone has a molecular weight of 368.53 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(5-cyclohexyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 167206284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).