(6R)-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-4,5,6,7-tetrahydroindazole-6-carboxamide

C18H24N4OS — CID 125141173

IUPAC(6R)-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-4,5,6,7-tetrahydroindazole-6-carboxamide
SMILESCc1csc(C2(NC(=O)[C@@H]3CCc4cnn(C)c4C3)CCCC2)n1
InChIInChI=1S/C18H24N4OS/c1-12-11-24-17(20-12)18(7-3-4-8-18)21-16(23)13-5-6-14-10-19-22(2)15(14)9-13/h10-11,13H,3-9H2,1-2H3,(H,21,23)/t13-/m1/s1
InChIKeyRHRNQSQZPHDCHV-CYBMUJFWSA-N
MW344.48 g/mol
LogP2.88
Rot. Bonds3

About (6R)-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-4,5,6,7-tetrahydroindazole-6-carboxamide

(6R)-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-4,5,6,7-tetrahydroindazole-6-carboxamide (PubChem CID 125141173) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is (6R)-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-4,5,6,7-tetrahydroindazole-6-carboxamide.

Molecular Properties

Compound Name(6R)-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-4,5,6,7-tetrahydroindazole-6-carboxamide
PubChem CID125141173
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name(6R)-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-4,5,6,7-tetrahydroindazole-6-carboxamide
SMILESCc1csc(C2(NC(=O)[C@@H]3CCc4cnn(C)c4C3)CCCC2)n1
InChIInChI=1S/C18H24N4OS/c1-12-11-24-17(20-12)18(7-3-4-8-18)21-16(23)13-5-6-14-10-19-22(2)15(14)9-13/h10-11,13H,3-9H2,1-2H3,(H,21,23)/t13-/m1/s1
InChIKeyRHRNQSQZPHDCHV-CYBMUJFWSA-N
XLogP2.88
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6R)-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-4,5,6,7-tetrahydroindazole-6-carboxamide?
The IUPAC name of (6R)-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-4,5,6,7-tetrahydroindazole-6-carboxamide (CID 125141173) is (6R)-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-4,5,6,7-tetrahydroindazole-6-carboxamide.
What is the SMILES notation for (6R)-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-4,5,6,7-tetrahydroindazole-6-carboxamide?
The canonical SMILES for (6R)-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-4,5,6,7-tetrahydroindazole-6-carboxamide is Cc1csc(C2(NC(=O)[C@@H]3CCc4cnn(C)c4C3)CCCC2)n1.
What is the InChIKey of (6R)-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-4,5,6,7-tetrahydroindazole-6-carboxamide?
The InChIKey is RHRNQSQZPHDCHV-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-12-11-24-17(20-12)18(7-3-4-8-18)21-16(23)13-5-6-14-10-19-22(2)15(14)9-13/h10-11,13H,3-9H2,1-2H3,(H,21,23)/t13-/m1/s1.
What are the key properties of (6R)-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-4,5,6,7-tetrahydroindazole-6-carboxamide?
(6R)-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-4,5,6,7-tetrahydroindazole-6-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-4,5,6,7-tetrahydroindazole-6-carboxamide is sourced from PubChem (CID 125141173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).