N-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide

C26H34ClN5O — CID 91970741

IUPACN-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
SMILESCc1cc(C2NNC3CCC(C(=O)N[C@@H]4CCCN(Cc5ccccc5Cl)C4)CC32)ccn1
InChIInChI=1S/C26H34ClN5O/c1-17-13-18(10-11-28-17)25-22-14-19(8-9-24(22)30-31-25)26(33)29-21-6-4-12-32(16-21)15-20-5-2-3-7-23(20)27/h2-3,5,7,10-11,13,19,21-22,24-25,30-31H,4,6,8-9,12,14-16H2,1H3,(H,29,33)/t19?,21-,22?,24?,25?/m1/s1
InChIKeyQXUBOOPTHCOYJV-ZYIPEJEJSA-N
MW468.05 g/mol
LogP3.76
Rot. Bonds5

About N-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide

N-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide (PubChem CID 91970741) has the molecular formula C26H34ClN5O and a molecular weight of 468.05 g/mol. Its IUPAC name is N-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
PubChem CID91970741
Molecular FormulaC26H34ClN5O
Molecular Weight468.05 g/mol
Exact Mass467.25
IUPAC NameN-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
SMILESCc1cc(C2NNC3CCC(C(=O)N[C@@H]4CCCN(Cc5ccccc5Cl)C4)CC32)ccn1
InChIInChI=1S/C26H34ClN5O/c1-17-13-18(10-11-28-17)25-22-14-19(8-9-24(22)30-31-25)26(33)29-21-6-4-12-32(16-21)15-20-5-2-3-7-23(20)27/h2-3,5,7,10-11,13,19,21-22,24-25,30-31H,4,6,8-9,12,14-16H2,1H3,(H,29,33)/t19?,21-,22?,24?,25?/m1/s1
InChIKeyQXUBOOPTHCOYJV-ZYIPEJEJSA-N
XLogP3.76
TPSA69.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.05
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-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-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 91970718
N-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 91970740
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 91970715
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 91970668
N-[3-(hydroxymethyl)-3-phenoxycyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 76527357
N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 91970761
3-(2,1,3-benzoxadiazol-5-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 91970799
3-(1-benzofuran-5-yl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 91970731
N-[(1R,3S)-3-hydroxy-3-[(2-oxoquinolin-1-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 129010708
N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(2,2,2-trifluoroethylcarbamoyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 91970887
N-[(1S,3S)-3-[(3-cyanoindol-1-yl)methyl]-3-hydroxycyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 129010710
3-(4-cyanophenyl)-N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 91970736

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide?
The IUPAC name of N-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide (CID 91970741) is N-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide is Cc1cc(C2NNC3CCC(C(=O)N[C@@H]4CCCN(Cc5ccccc5Cl)C4)CC32)ccn1.
What is the InChIKey of N-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide?
The InChIKey is QXUBOOPTHCOYJV-ZYIPEJEJSA-N. The full InChI is InChI=1S/C26H34ClN5O/c1-17-13-18(10-11-28-17)25-22-14-19(8-9-24(22)30-31-25)26(33)29-21-6-4-12-32(16-21)15-20-5-2-3-7-23(20)27/h2-3,5,7,10-11,13,19,21-22,24-25,30-31H,4,6,8-9,12,14-16H2,1H3,(H,29,33)/t19?,21-,22?,24?,25?/m1/s1.
What are the key properties of N-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide?
N-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide has a molecular weight of 468.05 g/mol, XLogP of 3.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide is sourced from PubChem (CID 91970741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).