6-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-4,5-dimethyl-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one

C29H33N5O3 — CID 53030522

IUPAC6-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-4,5-dimethyl-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cccc(N2CCN(C(=O)CCc3c(C)n(C)c4cc(-c5ccccc5C)nn4c3=O)CC2)c1
InChIInChI=1S/C29H33N5O3/c1-20-8-5-6-11-24(20)26-19-27-31(3)21(2)25(29(36)34(27)30-26)12-13-28(35)33-16-14-32(15-17-33)22-9-7-10-23(18-22)37-4/h5-11,18-19H,12-17H2,1-4H3
InChIKeyGNIRKLBVVRIQQS-UHFFFAOYSA-N
MW499.62 g/mol
LogP3.61
Rot. Bonds6

About 6-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-4,5-dimethyl-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one

6-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-4,5-dimethyl-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 53030522) has the molecular formula C29H33N5O3 and a molecular weight of 499.62 g/mol. Its IUPAC name is 6-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-4,5-dimethyl-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-4,5-dimethyl-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID53030522
Molecular FormulaC29H33N5O3
Molecular Weight499.62 g/mol
Exact Mass499.26
IUPAC Name6-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-4,5-dimethyl-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cccc(N2CCN(C(=O)CCc3c(C)n(C)c4cc(-c5ccccc5C)nn4c3=O)CC2)c1
InChIInChI=1S/C29H33N5O3/c1-20-8-5-6-11-24(20)26-19-27-31(3)21(2)25(29(36)34(27)30-26)12-13-28(35)33-16-14-32(15-17-33)22-9-7-10-23(18-22)37-4/h5-11,18-19H,12-17H2,1-4H3
InChIKeyGNIRKLBVVRIQQS-UHFFFAOYSA-N
XLogP3.61
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[3-(azepan-1-yl)-3-oxopropyl]-2-(2-methoxyphenyl)-4,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one
CID 53030432
2-(2-methoxyphenyl)-4,5-dimethyl-6-(3-morpholin-4-yl-3-oxopropyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 53009193
3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-phenylpropyl)propanamide
CID 53030478
N-(2-fluorophenyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 53030469
N-(2,4-dimethylphenyl)-3-[2-(3-methoxyphenyl)-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 53093243
6-[3-(azepan-1-yl)-3-oxopropyl]-4,5-dimethyl-2-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 53030588
3-(3-methoxyphenyl)-1-[4-[6-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 50840944
3-(3-chloro-4-methylphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 38601321
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 38601130
3-(4-methoxyphenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 8001578
3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 38575569
3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 38599623

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-4,5-dimethyl-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-4,5-dimethyl-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one (CID 53030522) is 6-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-4,5-dimethyl-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-4,5-dimethyl-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-4,5-dimethyl-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one is COc1cccc(N2CCN(C(=O)CCc3c(C)n(C)c4cc(-c5ccccc5C)nn4c3=O)CC2)c1.
What is the InChIKey of 6-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-4,5-dimethyl-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GNIRKLBVVRIQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O3/c1-20-8-5-6-11-24(20)26-19-27-31(3)21(2)25(29(36)34(27)30-26)12-13-28(35)33-16-14-32(15-17-33)22-9-7-10-23(18-22)37-4/h5-11,18-19H,12-17H2,1-4H3.
What are the key properties of 6-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-4,5-dimethyl-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one?
6-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-4,5-dimethyl-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 499.62 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-4,5-dimethyl-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 53030522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).