1-[5-(1-cyclopentyl-3-methyl-4H-imidazo[4,5-d]pyrazol-5-yl)thiophen-3-yl]-N,N-dimethylmethanamine

C17H23N5S — CID 135884186

IUPAC1-[5-(1-cyclopentyl-3-methyl-4H-imidazo[4,5-d]pyrazol-5-yl)thiophen-3-yl]-N,N-dimethylmethanamine
SMILESCc1nn(C2CCCC2)c2nc(-c3cc(CN(C)C)cs3)[nH]c12
InChIInChI=1S/C17H23N5S/c1-11-15-17(22(20-11)13-6-4-5-7-13)19-16(18-15)14-8-12(10-23-14)9-21(2)3/h8,10,13H,4-7,9H2,1-3H3,(H,18,19)
InChIKeyKTXZTWKLRKUJHA-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.97
Rot. Bonds4

About 1-[5-(1-cyclopentyl-3-methyl-4H-imidazo[4,5-d]pyrazol-5-yl)thiophen-3-yl]-N,N-dimethylmethanamine

1-[5-(1-cyclopentyl-3-methyl-4H-imidazo[4,5-d]pyrazol-5-yl)thiophen-3-yl]-N,N-dimethylmethanamine (PubChem CID 135884186) has the molecular formula C17H23N5S and a molecular weight of 329.47 g/mol. Its IUPAC name is 1-[5-(1-cyclopentyl-3-methyl-4H-imidazo[4,5-d]pyrazol-5-yl)thiophen-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-(1-cyclopentyl-3-methyl-4H-imidazo[4,5-d]pyrazol-5-yl)thiophen-3-yl]-N,N-dimethylmethanamine
PubChem CID135884186
Molecular FormulaC17H23N5S
Molecular Weight329.47 g/mol
Exact Mass329.17
IUPAC Name1-[5-(1-cyclopentyl-3-methyl-4H-imidazo[4,5-d]pyrazol-5-yl)thiophen-3-yl]-N,N-dimethylmethanamine
SMILESCc1nn(C2CCCC2)c2nc(-c3cc(CN(C)C)cs3)[nH]c12
InChIInChI=1S/C17H23N5S/c1-11-15-17(22(20-11)13-6-4-5-7-13)19-16(18-15)14-8-12(10-23-14)9-21(2)3/h8,10,13H,4-7,9H2,1-3H3,(H,18,19)
InChIKeyKTXZTWKLRKUJHA-UHFFFAOYSA-N
XLogP3.97
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-(1-cyclopentyl-3-methyl-4H-imidazo[4,5-d]pyrazol-5-yl)thiophen-3-yl]-N,N-dimethylmethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-cyclopentyl-3-methyl-4H-imidazo[4,5-d]pyrazol-5-yl)thiophen-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-(1-cyclopentyl-3-methyl-4H-imidazo[4,5-d]pyrazol-5-yl)thiophen-3-yl]-N,N-dimethylmethanamine (CID 135884186) is 1-[5-(1-cyclopentyl-3-methyl-4H-imidazo[4,5-d]pyrazol-5-yl)thiophen-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-(1-cyclopentyl-3-methyl-4H-imidazo[4,5-d]pyrazol-5-yl)thiophen-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-(1-cyclopentyl-3-methyl-4H-imidazo[4,5-d]pyrazol-5-yl)thiophen-3-yl]-N,N-dimethylmethanamine is Cc1nn(C2CCCC2)c2nc(-c3cc(CN(C)C)cs3)[nH]c12.
What is the InChIKey of 1-[5-(1-cyclopentyl-3-methyl-4H-imidazo[4,5-d]pyrazol-5-yl)thiophen-3-yl]-N,N-dimethylmethanamine?
The InChIKey is KTXZTWKLRKUJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5S/c1-11-15-17(22(20-11)13-6-4-5-7-13)19-16(18-15)14-8-12(10-23-14)9-21(2)3/h8,10,13H,4-7,9H2,1-3H3,(H,18,19).
What are the key properties of 1-[5-(1-cyclopentyl-3-methyl-4H-imidazo[4,5-d]pyrazol-5-yl)thiophen-3-yl]-N,N-dimethylmethanamine?
1-[5-(1-cyclopentyl-3-methyl-4H-imidazo[4,5-d]pyrazol-5-yl)thiophen-3-yl]-N,N-dimethylmethanamine has a molecular weight of 329.47 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-cyclopentyl-3-methyl-4H-imidazo[4,5-d]pyrazol-5-yl)thiophen-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 135884186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).