[4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone

C30H27N5O2 — CID 44602404

IUPAC[4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone
SMILESCOc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCN(C(=O)c5ccccc5)CC4)n3n2)cc1
InChIInChI=1S/C30H27N5O2/c1-37-25-14-12-23(13-15-25)27-20-28-31-26(22-8-4-2-5-9-22)21-29(35(28)32-27)33-16-18-34(19-17-33)30(36)24-10-6-3-7-11-24/h2-15,20-21H,16-19H2,1H3
InChIKeyATOGEGSDNGEMHT-UHFFFAOYSA-N
MW489.58 g/mol
LogP5.03
Rot. Bonds5

About [4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone

[4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone (PubChem CID 44602404) has the molecular formula C30H27N5O2 and a molecular weight of 489.58 g/mol. Its IUPAC name is [4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone
PubChem CID44602404
Molecular FormulaC30H27N5O2
Molecular Weight489.58 g/mol
Exact Mass489.22
IUPAC Name[4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone
SMILESCOc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCN(C(=O)c5ccccc5)CC4)n3n2)cc1
InChIInChI=1S/C30H27N5O2/c1-37-25-14-12-23(13-15-25)27-20-28-31-26(22-8-4-2-5-9-22)21-29(35(28)32-27)33-16-18-34(19-17-33)30(36)24-10-6-3-7-11-24/h2-15,20-21H,16-19H2,1H3
InChIKeyATOGEGSDNGEMHT-UHFFFAOYSA-N
XLogP5.03
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 44607977
furan-2-yl-[4-[2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone
CID 44968166
[4-(2-chlorophenyl)piperazin-1-yl]-[5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone
CID 42877550
[4-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 1441427
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
8-[2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 654068
7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine
CID 7440837
[4-[2-(3-chlorophenyl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-3-yl)methanone
CID 44629742
2-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 55828960
2-(4-methoxyphenoxy)-1-[4-(4-phenylbenzoyl)piperazin-1-yl]ethanone
CID 2877986
[2-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 46080290
[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 90516875

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone (CID 44602404) is [4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone is COc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCN(C(=O)c5ccccc5)CC4)n3n2)cc1.
What is the InChIKey of [4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone?
The InChIKey is ATOGEGSDNGEMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O2/c1-37-25-14-12-23(13-15-25)27-20-28-31-26(22-8-4-2-5-9-22)21-29(35(28)32-27)33-16-18-34(19-17-33)30(36)24-10-6-3-7-11-24/h2-15,20-21H,16-19H2,1H3.
What are the key properties of [4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone?
[4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone has a molecular weight of 489.58 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 44602404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).