(3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone

C17H22N4O2S — CID 28871914

IUPAC(3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone
SMILESCOc1nc(C)c(C(=O)N2CCc3[nH]nc(C4CCCC4)c3C2)s1
InChIInChI=1S/C17H22N4O2S/c1-10-15(24-17(18-10)23-2)16(22)21-8-7-13-12(9-21)14(20-19-13)11-5-3-4-6-11/h11H,3-9H2,1-2H3,(H,19,20)
InChIKeyCQAFXRGCYSMRAG-UHFFFAOYSA-N
MW346.46 g/mol
LogP3.04
Rot. Bonds3

About (3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone

(3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 28871914) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is (3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID28871914
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name(3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone
SMILESCOc1nc(C)c(C(=O)N2CCc3[nH]nc(C4CCCC4)c3C2)s1
InChIInChI=1S/C17H22N4O2S/c1-10-15(24-17(18-10)23-2)16(22)21-8-7-13-12(9-21)14(20-19-13)11-5-3-4-6-11/h11H,3-9H2,1-2H3,(H,19,20)
InChIKeyCQAFXRGCYSMRAG-UHFFFAOYSA-N
XLogP3.04
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of (3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone (CID 28871914) is (3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for (3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone is COc1nc(C)c(C(=O)N2CCc3[nH]nc(C4CCCC4)c3C2)s1.
What is the InChIKey of (3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is CQAFXRGCYSMRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-10-15(24-17(18-10)23-2)16(22)21-8-7-13-12(9-21)14(20-19-13)11-5-3-4-6-11/h11H,3-9H2,1-2H3,(H,19,20).
What are the key properties of (3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone?
(3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 346.46 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopentyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 28871914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).