trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide

C23H25N5O2 — CID 39761234

IUPACtrans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1nnc2ccccn12)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21
InChIInChI=1S/C23H25N5O2/c29-22(24-15-21-26-25-20-11-5-6-13-28(20)21)17-8-2-3-9-18(17)23(30)27-14-12-16-7-1-4-10-19(16)27/h1,4-7,10-11,13,17-18H,2-3,8-9,12,14-15H2,(H,24,29)/t17-,18-/m1/s1
InChIKeyHDEXRJDGDLQYAZ-QZTJIDSGSA-N
MW403.49 g/mol
LogP2.74
Rot. Bonds4

About trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide

trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 39761234) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide
PubChem CID39761234
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Nametrans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C(NCc1nnc2ccccn12)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21
InChIInChI=1S/C23H25N5O2/c29-22(24-15-21-26-25-20-11-5-6-13-28(20)21)17-8-2-3-9-18(17)23(30)27-14-12-16-7-1-4-10-19(16)27/h1,4-7,10-11,13,17-18H,2-3,8-9,12,14-15H2,(H,24,29)/t17-,18-/m1/s1
InChIKeyHDEXRJDGDLQYAZ-QZTJIDSGSA-N
XLogP2.74
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide with MolForge

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Related Compounds

2-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 64823445
N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxamide
CID 56578467
2-(2,3-dihydroindole-1-carbonyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclohexane-1-carboxamide
CID 55981073
cis-(1S,2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 94035247
2-(2,3-dihydroindole-1-carbonyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 51166570
2-(2,3-dihydroindole-1-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 46613887
trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 37426155
2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 42917710
2-(2,3-dihydroindole-1-carbonyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]cyclohexane-1-carboxamide
CID 55706236
2-(2,3-dihydroindole-1-carbonyl)-N-[2-(N-methylanilino)ethyl]cyclohexane-1-carboxamide
CID 55533127
cis-(1S,2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93365838
2-(2,3-dihydroindole-1-carbonyl)-N-[(2-ethoxy-3-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 55577425

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide (CID 39761234) is trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide is O=C(NCc1nnc2ccccn12)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc21.
What is the InChIKey of trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is HDEXRJDGDLQYAZ-QZTJIDSGSA-N. The full InChI is InChI=1S/C23H25N5O2/c29-22(24-15-21-26-25-20-11-5-6-13-28(20)21)17-8-2-3-9-18(17)23(30)27-14-12-16-7-1-4-10-19(16)27/h1,4-7,10-11,13,17-18H,2-3,8-9,12,14-15H2,(H,24,29)/t17-,18-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide?
trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 39761234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).