(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)methanone

C17H18N6OS — CID 59579880

IUPAC(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)methanone
SMILESCCc1nc(-c2ncccn2)sc1C(=O)N1CCc2nn(C)cc2C1
InChIInChI=1S/C17H18N6OS/c1-3-12-14(25-16(20-12)15-18-6-4-7-19-15)17(24)23-8-5-13-11(10-23)9-22(2)21-13/h4,6-7,9H,3,5,8,10H2,1-2H3
InChIKeyUHRAQQYDHCZULS-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.09
Rot. Bonds3

About (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)methanone

(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)methanone (PubChem CID 59579880) has the molecular formula C17H18N6OS and a molecular weight of 354.44 g/mol. Its IUPAC name is (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)methanone
PubChem CID59579880
Molecular FormulaC17H18N6OS
Molecular Weight354.44 g/mol
Exact Mass354.13
IUPAC Name(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)methanone
SMILESCCc1nc(-c2ncccn2)sc1C(=O)N1CCc2nn(C)cc2C1
InChIInChI=1S/C17H18N6OS/c1-3-12-14(25-16(20-12)15-18-6-4-7-19-15)17(24)23-8-5-13-11(10-23)9-22(2)21-13/h4,6-7,9H,3,5,8,10H2,1-2H3
InChIKeyUHRAQQYDHCZULS-UHFFFAOYSA-N
XLogP2.09
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-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

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)methanone?
The IUPAC name of (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)methanone (CID 59579880) is (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)methanone.
What is the SMILES notation for (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)methanone?
The canonical SMILES for (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)methanone is CCc1nc(-c2ncccn2)sc1C(=O)N1CCc2nn(C)cc2C1.
What is the InChIKey of (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)methanone?
The InChIKey is UHRAQQYDHCZULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6OS/c1-3-12-14(25-16(20-12)15-18-6-4-7-19-15)17(24)23-8-5-13-11(10-23)9-22(2)21-13/h4,6-7,9H,3,5,8,10H2,1-2H3.
What are the key properties of (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)methanone?
(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)methanone has a molecular weight of 354.44 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)methanone is sourced from PubChem (CID 59579880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).