[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone

C18H16N6OS — CID 143750508

IUPAC[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(-c2cnn3cc(-c4cn[nH]c4)cnc23)cs1)N1CCCC1
InChIInChI=1S/C18H16N6OS/c25-18(23-3-1-2-4-23)16-5-12(11-26-16)15-9-22-24-10-14(6-19-17(15)24)13-7-20-21-8-13/h5-11H,1-4H2,(H,20,21)
InChIKeyBGMNJSGXQFQYPD-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.08
Rot. Bonds3

About [4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone

[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 143750508) has the molecular formula C18H16N6OS and a molecular weight of 364.43 g/mol. Its IUPAC name is [4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID143750508
Molecular FormulaC18H16N6OS
Molecular Weight364.43 g/mol
Exact Mass364.11
IUPAC Name[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(-c2cnn3cc(-c4cn[nH]c4)cnc23)cs1)N1CCCC1
InChIInChI=1S/C18H16N6OS/c25-18(23-3-1-2-4-23)16-5-12(11-26-16)15-9-22-24-10-14(6-19-17(15)24)13-7-20-21-8-13/h5-11H,1-4H2,(H,20,21)
InChIKeyBGMNJSGXQFQYPD-UHFFFAOYSA-N
XLogP3.08
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone 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

methane;[3-(methylamino)pyrrolidin-1-yl]-[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]methanone
CID 157463106
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl-[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]methanone
CID 59604045
piperidin-1-yl-[4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]methanone
CID 59495054
N-(2-hydroxyethyl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 70820328
methane;N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 157447833
N-(1-hydroxypropan-2-yl)-4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 70820315
4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-pentan-3-ylthiophene-2-carboxamide
CID 68775357
N-butyl-4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 59495087
4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(3R)-piperidin-3-yl]thiophene-2-carboxamide
CID 59603852
N-cyclopropyl-4-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 24758311
4-[6-(4-aminopiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(cyclopropylmethyl)thiophene-2-carboxamide
CID 168962397
[2-methyl-1-[[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carbonyl]amino]propan-2-yl]azanium
CID 59604043

Frequently Asked Questions

What is the IUPAC name of [4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone (CID 143750508) is [4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone is O=C(c1cc(-c2cnn3cc(-c4cn[nH]c4)cnc23)cs1)N1CCCC1.
What is the InChIKey of [4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is BGMNJSGXQFQYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6OS/c25-18(23-3-1-2-4-23)16-5-12(11-26-16)15-9-22-24-10-14(6-19-17(15)24)13-7-20-21-8-13/h5-11H,1-4H2,(H,20,21).
What are the key properties of [4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone?
[4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 364.43 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 143750508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).