1-(cyclohexylmethyl)-N,N-dimethyl-5-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide

C27H35N5OS — CID 45159389

IUPAC1-(cyclohexylmethyl)-N,N-dimethyl-5-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCN(C)C(=O)c1nn(CC2CCCCC2)c2c1CC(NCc1nc(-c3ccccc3)cs1)CC2
InChIInChI=1S/C27H35N5OS/c1-31(2)27(33)26-22-15-21(13-14-24(22)32(30-26)17-19-9-5-3-6-10-19)28-16-25-29-23(18-34-25)20-11-7-4-8-12-20/h4,7-8,11-12,18-19,21,28H,3,5-6,9-10,13-17H2,1-2H3
InChIKeyLSLLJNRZNZWWPB-UHFFFAOYSA-N
MW477.68 g/mol
LogP4.94
Rot. Bonds7

About 1-(cyclohexylmethyl)-N,N-dimethyl-5-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide

1-(cyclohexylmethyl)-N,N-dimethyl-5-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 45159389) has the molecular formula C27H35N5OS and a molecular weight of 477.68 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N,N-dimethyl-5-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N,N-dimethyl-5-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID45159389
Molecular FormulaC27H35N5OS
Molecular Weight477.68 g/mol
Exact Mass477.26
IUPAC Name1-(cyclohexylmethyl)-N,N-dimethyl-5-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCN(C)C(=O)c1nn(CC2CCCCC2)c2c1CC(NCc1nc(-c3ccccc3)cs1)CC2
InChIInChI=1S/C27H35N5OS/c1-31(2)27(33)26-22-15-21(13-14-24(22)32(30-26)17-19-9-5-3-6-10-19)28-16-25-29-23(18-34-25)20-11-7-4-8-12-20/h4,7-8,11-12,18-19,21,28H,3,5-6,9-10,13-17H2,1-2H3
InChIKeyLSLLJNRZNZWWPB-UHFFFAOYSA-N
XLogP4.94
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.68
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(cyclohexylmethyl)-N,N-dimethyl-5-(pyridin-4-ylmethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45159941
1-(cyclohexylmethyl)-N,N-dimethyl-5-(pyridin-3-ylmethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45161112
1-benzyl-N,N-dimethyl-5-(2-methylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165410
[1-ethyl-5-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 45164183
1-benzyl-N,N-dimethyl-5-(2-phenylethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165010
[1-methyl-5-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone
CID 45165083
1-benzyl-N,N-dimethyl-5-(3-phenylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45161434
3-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine
CID 104587891
2-methyl-1-[4-[(4-phenyl-1,3-thiazol-2-yl)methylamino]piperidin-1-yl]propan-1-one
CID 119121832
2-cyclopentyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62900718
(5S)-1-(cyclohexylmethyl)-5-(2-methoxyethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26228743
(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-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N,N-dimethyl-5-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 45159389) is 1-(cyclohexylmethyl)-N,N-dimethyl-5-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N,N-dimethyl-5-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N,N-dimethyl-5-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide is CN(C)C(=O)c1nn(CC2CCCCC2)c2c1CC(NCc1nc(-c3ccccc3)cs1)CC2.
What is the InChIKey of 1-(cyclohexylmethyl)-N,N-dimethyl-5-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is LSLLJNRZNZWWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5OS/c1-31(2)27(33)26-22-15-21(13-14-24(22)32(30-26)17-19-9-5-3-6-10-19)28-16-25-29-23(18-34-25)20-11-7-4-8-12-20/h4,7-8,11-12,18-19,21,28H,3,5-6,9-10,13-17H2,1-2H3.
What are the key properties of 1-(cyclohexylmethyl)-N,N-dimethyl-5-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-(cyclohexylmethyl)-N,N-dimethyl-5-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 477.68 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N,N-dimethyl-5-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 45159389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).