6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C20H24N6O2 — CID 72848557

IUPAC6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2ncc(C(=O)N3CCC(c4nccn4CC4CC4)CC3)c(=O)n2[nH]1
InChIInChI=1S/C20H24N6O2/c1-13-10-17-22-11-16(20(28)26(17)23-13)19(27)24-7-4-15(5-8-24)18-21-6-9-25(18)12-14-2-3-14/h6,9-11,14-15,23H,2-5,7-8,12H2,1H3
InChIKeyBQRKMOBZSIELMW-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.96
Rot. Bonds4

About 6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 72848557) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID72848557
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2ncc(C(=O)N3CCC(c4nccn4CC4CC4)CC3)c(=O)n2[nH]1
InChIInChI=1S/C20H24N6O2/c1-13-10-17-22-11-16(20(28)26(17)23-13)19(27)24-7-4-15(5-8-24)18-21-6-9-25(18)12-14-2-3-14/h6,9-11,14-15,23H,2-5,7-8,12H2,1H3
InChIKeyBQRKMOBZSIELMW-UHFFFAOYSA-N
XLogP1.96
TPSA88.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 72848557) is 6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2ncc(C(=O)N3CCC(c4nccn4CC4CC4)CC3)c(=O)n2[nH]1.
What is the InChIKey of 6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BQRKMOBZSIELMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-13-10-17-22-11-16(20(28)26(17)23-13)19(27)24-7-4-15(5-8-24)18-21-6-9-25(18)12-14-2-3-14/h6,9-11,14-15,23H,2-5,7-8,12H2,1H3.
What are the key properties of 6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 380.45 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 72848557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).