[7-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-piperidin-1-ylmethanone

C25H24N4O2 — CID 42877309

IUPAC[7-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-piperidin-1-ylmethanone
SMILESCOc1ccccc1-c1cc(C(=O)N2CCCCC2)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C25H24N4O2/c1-31-23-13-7-6-12-19(23)22-16-21(25(30)28-14-8-3-9-15-28)26-24-17-20(27-29(22)24)18-10-4-2-5-11-18/h2,4-7,10-13,16-17H,3,8-9,14-15H2,1H3
InChIKeyVFANFWNCSAZSKJ-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.70
Rot. Bonds4

About [7-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-piperidin-1-ylmethanone

[7-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-piperidin-1-ylmethanone (PubChem CID 42877309) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is [7-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[7-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-piperidin-1-ylmethanone
PubChem CID42877309
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name[7-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-piperidin-1-ylmethanone
SMILESCOc1ccccc1-c1cc(C(=O)N2CCCCC2)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C25H24N4O2/c1-31-23-13-7-6-12-19(23)22-16-21(25(30)28-14-8-3-9-15-28)26-24-17-20(27-29(22)24)18-10-4-2-5-11-18/h2,4-7,10-13,16-17H,3,8-9,14-15H2,1H3
InChIKeyVFANFWNCSAZSKJ-UHFFFAOYSA-N
XLogP4.70
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[7-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl]methanone
CID 42877320
3-[1-[7-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 46079696
7-(2-methoxyphenyl)-N-(2-oxoazepan-3-yl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 42690229
ethyl 1-[2-tert-butyl-7-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperidine-4-carboxylate
CID 42877225
ethyl (3R)-1-[7-(3-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbonyl]piperidine-3-carboxylate
CID 93008972
azepan-1-yl-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 744096
ethyl 1-[7-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbonyl]piperidine-3-carboxylate
CID 46079626
(4-benzylpiperazin-1-yl)-[5-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone
CID 42877585
2-(4-chlorophenyl)-7-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 93009006
[2-tert-butyl-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 42877209
azepan-1-yl-(7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
CID 53175345
(7-ethyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone
CID 53040610

Frequently Asked Questions

What is the IUPAC name of [7-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [7-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-piperidin-1-ylmethanone (CID 42877309) is [7-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [7-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [7-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-piperidin-1-ylmethanone is COc1ccccc1-c1cc(C(=O)N2CCCCC2)nc2cc(-c3ccccc3)nn12.
What is the InChIKey of [7-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-piperidin-1-ylmethanone?
The InChIKey is VFANFWNCSAZSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-31-23-13-7-6-12-19(23)22-16-21(25(30)28-14-8-3-9-15-28)26-24-17-20(27-29(22)24)18-10-4-2-5-11-18/h2,4-7,10-13,16-17H,3,8-9,14-15H2,1H3.
What are the key properties of [7-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-piperidin-1-ylmethanone?
[7-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-piperidin-1-ylmethanone has a molecular weight of 412.49 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 42877309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).