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

C24H36N4O — CID 172500718

IUPAC[5-(cyclohexylmethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-(2,2-dimethylpiperidin-1-yl)methanone
SMILESCC(C)c1cc(CC2CCCCC2)nc2cc(C(=O)N3CCCCC3(C)C)nn12
InChIInChI=1S/C24H36N4O/c1-17(2)21-15-19(14-18-10-6-5-7-11-18)25-22-16-20(26-28(21)22)23(29)27-13-9-8-12-24(27,3)4/h15-18H,5-14H2,1-4H3
InChIKeyMLKVQIWFZNRJKW-UHFFFAOYSA-N
MW396.58 g/mol
LogP5.38
Rot. Bonds4

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

[5-(cyclohexylmethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-(2,2-dimethylpiperidin-1-yl)methanone (PubChem CID 172500718) has the molecular formula C24H36N4O and a molecular weight of 396.58 g/mol. Its IUPAC name is [5-(cyclohexylmethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-(2,2-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(cyclohexylmethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-(2,2-dimethylpiperidin-1-yl)methanone
PubChem CID172500718
Molecular FormulaC24H36N4O
Molecular Weight396.58 g/mol
Exact Mass396.29
IUPAC Name[5-(cyclohexylmethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-(2,2-dimethylpiperidin-1-yl)methanone
SMILESCC(C)c1cc(CC2CCCCC2)nc2cc(C(=O)N3CCCCC3(C)C)nn12
InChIInChI=1S/C24H36N4O/c1-17(2)21-15-19(14-18-10-6-5-7-11-18)25-22-16-20(26-28(21)22)23(29)27-13-9-8-12-24(27,3)4/h15-18H,5-14H2,1-4H3
InChIKeyMLKVQIWFZNRJKW-UHFFFAOYSA-N
XLogP5.38
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.58
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(cyclohexylmethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-(2,2-dimethylpiperidin-1-yl)methanone?
The IUPAC name of [5-(cyclohexylmethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-(2,2-dimethylpiperidin-1-yl)methanone (CID 172500718) is [5-(cyclohexylmethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-(2,2-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(cyclohexylmethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-(2,2-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(cyclohexylmethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-(2,2-dimethylpiperidin-1-yl)methanone is CC(C)c1cc(CC2CCCCC2)nc2cc(C(=O)N3CCCCC3(C)C)nn12.
What is the InChIKey of [5-(cyclohexylmethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-(2,2-dimethylpiperidin-1-yl)methanone?
The InChIKey is MLKVQIWFZNRJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O/c1-17(2)21-15-19(14-18-10-6-5-7-11-18)25-22-16-20(26-28(21)22)23(29)27-13-9-8-12-24(27,3)4/h15-18H,5-14H2,1-4H3.
What are the key properties of [5-(cyclohexylmethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-(2,2-dimethylpiperidin-1-yl)methanone?
[5-(cyclohexylmethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-(2,2-dimethylpiperidin-1-yl)methanone has a molecular weight of 396.58 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclohexylmethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-2-yl]-(2,2-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 172500718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).