[4-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-pyridin-3-ylmethanone

C24H24N6O2 — CID 44607977

IUPAC[4-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-pyridin-3-ylmethanone
SMILESCOc1ccc(-c2cc3nc(C)cc(N4CCN(C(=O)c5cccnc5)CC4)n3n2)cc1
InChIInChI=1S/C24H24N6O2/c1-17-14-23(28-10-12-29(13-11-28)24(31)19-4-3-9-25-16-19)30-22(26-17)15-21(27-30)18-5-7-20(32-2)8-6-18/h3-9,14-16H,10-13H2,1-2H3
InChIKeyJPLXCDBAUDKKQW-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.07
Rot. Bonds4

About [4-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-pyridin-3-ylmethanone

[4-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-pyridin-3-ylmethanone (PubChem CID 44607977) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is [4-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-pyridin-3-ylmethanone
PubChem CID44607977
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name[4-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-pyridin-3-ylmethanone
SMILESCOc1ccc(-c2cc3nc(C)cc(N4CCN(C(=O)c5cccnc5)CC4)n3n2)cc1
InChIInChI=1S/C24H24N6O2/c1-17-14-23(28-10-12-29(13-11-28)24(31)19-4-3-9-25-16-19)30-22(26-17)15-21(27-30)18-5-7-20(32-2)8-6-18/h3-9,14-16H,10-13H2,1-2H3
InChIKeyJPLXCDBAUDKKQW-UHFFFAOYSA-N
XLogP3.07
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone
CID 44602404
furan-3-yl-[4-(5-methyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 44968162
(4-methoxyphenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798519
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 50821900
N-(3-chloro-2-methylphenyl)-1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 46378519
N-(2-methoxyphenyl)-1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxamide
CID 50821949
1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol
CID 3229908
7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine
CID 1441053
7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine
CID 1441052
(3-methoxyphenyl)-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 38014441
[4-[2-(3-chlorophenyl)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-3-yl)methanone
CID 44629742

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-pyridin-3-ylmethanone (CID 44607977) is [4-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-pyridin-3-ylmethanone is COc1ccc(-c2cc3nc(C)cc(N4CCN(C(=O)c5cccnc5)CC4)n3n2)cc1.
What is the InChIKey of [4-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is JPLXCDBAUDKKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-17-14-23(28-10-12-29(13-11-28)24(31)19-4-3-9-25-16-19)30-22(26-17)15-21(27-30)18-5-7-20(32-2)8-6-18/h3-9,14-16H,10-13H2,1-2H3.
What are the key properties of [4-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-pyridin-3-ylmethanone?
[4-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 428.50 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 44607977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).