[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone

C23H29N9O3S — CID 19441871

IUPAC[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
SMILESCCn1cc(-c2ccnc3c(C(=O)N4CCN(S(=O)(=O)c5cn(CC)nc5C)CC4)cnn23)c(C)n1
InChIInChI=1S/C23H29N9O3S/c1-5-29-14-19(16(3)26-29)20-7-8-24-22-18(13-25-32(20)22)23(33)28-9-11-31(12-10-28)36(34,35)21-15-30(6-2)27-17(21)4/h7-8,13-15H,5-6,9-12H2,1-4H3
InChIKeyCUKAVAAPJAPMCE-UHFFFAOYSA-N
MW511.61 g/mol
LogP1.59
Rot. Bonds6

About [7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone

[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone (PubChem CID 19441871) has the molecular formula C23H29N9O3S and a molecular weight of 511.61 g/mol. Its IUPAC name is [7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
PubChem CID19441871
Molecular FormulaC23H29N9O3S
Molecular Weight511.61 g/mol
Exact Mass511.21
IUPAC Name[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
SMILESCCn1cc(-c2ccnc3c(C(=O)N4CCN(S(=O)(=O)c5cn(CC)nc5C)CC4)cnn23)c(C)n1
InChIInChI=1S/C23H29N9O3S/c1-5-29-14-19(16(3)26-29)20-7-8-24-22-18(13-25-32(20)22)23(33)28-9-11-31(12-10-28)36(34,35)21-15-30(6-2)27-17(21)4/h7-8,13-15H,5-6,9-12H2,1-4H3
InChIKeyCUKAVAAPJAPMCE-UHFFFAOYSA-N
XLogP1.59
TPSA123.52 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.61
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze [7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone 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

N-ethyl-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416589
4-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]butanoyl chloride
CID 19414820
7-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416490
[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 19572343
N-[3-(4-chloropyrazol-1-yl)propyl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416544
(4-bromo-1-ethylpyrazol-5-yl)-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 19478928
1-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 19560260
7-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414793
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(1-ethyl-3-methylpyrazol-4-yl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19441308
7-(1-ethyl-3-methylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414790
7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-(methoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416584
7-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416561

Frequently Asked Questions

What is the IUPAC name of [7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of [7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone (CID 19441871) is [7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for [7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for [7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone is CCn1cc(-c2ccnc3c(C(=O)N4CCN(S(=O)(=O)c5cn(CC)nc5C)CC4)cnn23)c(C)n1.
What is the InChIKey of [7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is CUKAVAAPJAPMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N9O3S/c1-5-29-14-19(16(3)26-29)20-7-8-24-22-18(13-25-32(20)22)23(33)28-9-11-31(12-10-28)36(34,35)21-15-30(6-2)27-17(21)4/h7-8,13-15H,5-6,9-12H2,1-4H3.
What are the key properties of [7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 511.61 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 19441871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).