(6S)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide

C20H26N4OS — CID 129466300

IUPAC(6S)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
SMILESO=C([C@H]1CCc2cn[nH]c2C1)N(Cc1ccsc1)[C@H]1CC12CCNCC2
InChIInChI=1S/C20H26N4OS/c25-19(15-1-2-16-11-22-23-17(16)9-15)24(12-14-3-8-26-13-14)18-10-20(18)4-6-21-7-5-20/h3,8,11,13,15,18,21H,1-2,4-7,9-10,12H2,(H,22,23)/t15-,18-/m0/s1
InChIKeyZMNBFBDSIWXQTO-YJBOKZPZSA-N
MW370.52 g/mol
LogP2.75
Rot. Bonds4

About (6S)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide

(6S)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide (PubChem CID 129466300) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is (6S)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
PubChem CID129466300
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name(6S)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
SMILESO=C([C@H]1CCc2cn[nH]c2C1)N(Cc1ccsc1)[C@H]1CC12CCNCC2
InChIInChI=1S/C20H26N4OS/c25-19(15-1-2-16-11-22-23-17(16)9-15)24(12-14-3-8-26-13-14)18-10-20(18)4-6-21-7-5-20/h3,8,11,13,15,18,21H,1-2,4-7,9-10,12H2,(H,22,23)/t15-,18-/m0/s1
InChIKeyZMNBFBDSIWXQTO-YJBOKZPZSA-N
XLogP2.75
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6S)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-6-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

3-amino-N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride
CID 128990570
cis-(1R,2S)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-cyclopropyl-N-(thiophen-3-ylmethyl)cyclopropane-1-carboxamide
CID 129465946
N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 129476775
(2R)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-6-oxaspiro[2.5]octane-2-carboxamide
CID 129344233
N-[(2S)-6-azaspiro[2.5]octan-2-yl]-6-oxo-N-(thiophen-3-ylmethyl)-1H-pyridazine-3-carboxamide
CID 99778402
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-4-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 129465975
N-(6-azaspiro[2.5]octan-2-yl)-3-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propanamide
CID 128993528
N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 129001221
3-amino-N-(6-azaspiro[2.5]octan-2-yl)-3-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 128994548
N-[(2S)-6-azaspiro[2.5]octan-2-yl]-3-chloro-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 129466008
(2S)-2-amino-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-phenyl-N-(thiophen-3-ylmethyl)acetamide
CID 129338999
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-4-chloro-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 129473894

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
The IUPAC name of (6S)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide (CID 129466300) is (6S)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide.
What is the SMILES notation for (6S)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
The canonical SMILES for (6S)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide is O=C([C@H]1CCc2cn[nH]c2C1)N(Cc1ccsc1)[C@H]1CC12CCNCC2.
What is the InChIKey of (6S)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
The InChIKey is ZMNBFBDSIWXQTO-YJBOKZPZSA-N. The full InChI is InChI=1S/C20H26N4OS/c25-19(15-1-2-16-11-22-23-17(16)9-15)24(12-14-3-8-26-13-14)18-10-20(18)4-6-21-7-5-20/h3,8,11,13,15,18,21H,1-2,4-7,9-10,12H2,(H,22,23)/t15-,18-/m0/s1.
What are the key properties of (6S)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
(6S)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide is sourced from PubChem (CID 129466300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).