2,5-dimethyl-N-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)pyrazole-3-carboxamide

C15H16N6OS — CID 175650434

IUPAC2,5-dimethyl-N-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CN(c3ncnc4sccc34)C2)n(C)n1
InChIInChI=1S/C15H16N6OS/c1-9-5-12(20(2)19-9)14(22)18-10-6-21(7-10)13-11-3-4-23-15(11)17-8-16-13/h3-5,8,10H,6-7H2,1-2H3,(H,18,22)
InChIKeyWVRLRKFFBWXGPQ-UHFFFAOYSA-N
MW328.40 g/mol
LogP1.35
Rot. Bonds3

About 2,5-dimethyl-N-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)pyrazole-3-carboxamide

2,5-dimethyl-N-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)pyrazole-3-carboxamide (PubChem CID 175650434) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is 2,5-dimethyl-N-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)pyrazole-3-carboxamide
PubChem CID175650434
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC Name2,5-dimethyl-N-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CN(c3ncnc4sccc34)C2)n(C)n1
InChIInChI=1S/C15H16N6OS/c1-9-5-12(20(2)19-9)14(22)18-10-6-21(7-10)13-11-3-4-23-15(11)17-8-16-13/h3-5,8,10H,6-7H2,1-2H3,(H,18,22)
InChIKeyWVRLRKFFBWXGPQ-UHFFFAOYSA-N
XLogP1.35
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,5-dimethyl-N-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)pyrazole-3-carboxamide 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-[1-(5-ethylpyrimidin-2-yl)azetidin-3-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 175648687
2,5-dimethyl-N-(1-quinolin-4-ylazetidin-3-yl)pyrazole-3-carboxamide
CID 175650745
N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 172899553
2-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)acetic acid
CID 64616447
(3S,5R)-5-(cyclopropylcarbamoyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxylic acid
CID 56891475
N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 56822157
N-[(3S,4R)-4-(4-methoxyphenyl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl]acetamide
CID 70770243
1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-3-carboxylic acid
CID 63030992
N-(4-hydroxycyclohexyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61057507
2,5-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172899602
4-[3-(trifluoromethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine
CID 171994938
bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 174973437

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)pyrazole-3-carboxamide (CID 175650434) is 2,5-dimethyl-N-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)pyrazole-3-carboxamide is Cc1cc(C(=O)NC2CN(c3ncnc4sccc34)C2)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)pyrazole-3-carboxamide?
The InChIKey is WVRLRKFFBWXGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS/c1-9-5-12(20(2)19-9)14(22)18-10-6-21(7-10)13-11-3-4-23-15(11)17-8-16-13/h3-5,8,10H,6-7H2,1-2H3,(H,18,22).
What are the key properties of 2,5-dimethyl-N-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)pyrazole-3-carboxamide?
2,5-dimethyl-N-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)pyrazole-3-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 175650434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).