1-(cyclohexylmethyl)-N,N-dimethyl-5-(pyridin-4-ylmethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide

C23H33N5O — CID 45159941

IUPAC1-(cyclohexylmethyl)-N,N-dimethyl-5-(pyridin-4-ylmethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCN(C)C(=O)c1nn(CC2CCCCC2)c2c1CC(NCc1ccncc1)CC2
InChIInChI=1S/C23H33N5O/c1-27(2)23(29)22-20-14-19(25-15-17-10-12-24-13-11-17)8-9-21(20)28(26-22)16-18-6-4-3-5-7-18/h10-13,18-19,25H,3-9,14-16H2,1-2H3
InChIKeyRWLVWCVJBWHCOU-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.21
Rot. Bonds6

About 1-(cyclohexylmethyl)-N,N-dimethyl-5-(pyridin-4-ylmethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide

1-(cyclohexylmethyl)-N,N-dimethyl-5-(pyridin-4-ylmethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 45159941) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N,N-dimethyl-5-(pyridin-4-ylmethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N,N-dimethyl-5-(pyridin-4-ylmethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID45159941
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC Name1-(cyclohexylmethyl)-N,N-dimethyl-5-(pyridin-4-ylmethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCN(C)C(=O)c1nn(CC2CCCCC2)c2c1CC(NCc1ccncc1)CC2
InChIInChI=1S/C23H33N5O/c1-27(2)23(29)22-20-14-19(25-15-17-10-12-24-13-11-17)8-9-21(20)28(26-22)16-18-6-4-3-5-7-18/h10-13,18-19,25H,3-9,14-16H2,1-2H3
InChIKeyRWLVWCVJBWHCOU-UHFFFAOYSA-N
XLogP3.21
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclohexylmethyl)-N,N-dimethyl-5-(pyridin-3-ylmethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45161112
1-(cyclohexylmethyl)-N,N-dimethyl-5-(propan-2-ylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45159679
1-(cyclohexylmethyl)-N,N-dimethyl-5-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45159389
azepan-1-yl-[1-ethyl-5-(pyridin-4-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 45162740
(5R)-5-[(4-fluorophenyl)methylamino]-N,N-dimethyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 29088979
1-(cyclohexylmethyl)-5-(furan-2-ylmethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45164082
(5R)-1-(cyclohexylmethyl)-5-(4-hydroxypiperidin-1-yl)-N,N-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26226486
1-benzyl-N,N-dimethyl-5-(2-phenylethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165010
1-benzyl-N,N-dimethyl-5-(2-methylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165410
(5S)-1-(cyclohexylmethyl)-5-(2-methoxyethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26228743
1-benzyl-N,N-dimethyl-5-(3-phenylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45161434
(5S)-5-(cyclopentylamino)-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26226882

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N,N-dimethyl-5-(pyridin-4-ylmethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N,N-dimethyl-5-(pyridin-4-ylmethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 45159941) is 1-(cyclohexylmethyl)-N,N-dimethyl-5-(pyridin-4-ylmethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N,N-dimethyl-5-(pyridin-4-ylmethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N,N-dimethyl-5-(pyridin-4-ylmethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide is CN(C)C(=O)c1nn(CC2CCCCC2)c2c1CC(NCc1ccncc1)CC2.
What is the InChIKey of 1-(cyclohexylmethyl)-N,N-dimethyl-5-(pyridin-4-ylmethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is RWLVWCVJBWHCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-27(2)23(29)22-20-14-19(25-15-17-10-12-24-13-11-17)8-9-21(20)28(26-22)16-18-6-4-3-5-7-18/h10-13,18-19,25H,3-9,14-16H2,1-2H3.
What are the key properties of 1-(cyclohexylmethyl)-N,N-dimethyl-5-(pyridin-4-ylmethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-(cyclohexylmethyl)-N,N-dimethyl-5-(pyridin-4-ylmethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N,N-dimethyl-5-(pyridin-4-ylmethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 45159941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).