5-chloro-3-methyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]-1H-indole-2-carboxamide

C23H27ClN6O2 — CID 42540416

IUPAC5-chloro-3-methyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NC2CCC(n3cc(C(=O)N4CCCC4)nn3)CC2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C23H27ClN6O2/c1-14-18-12-15(24)4-9-19(18)26-21(14)22(31)25-16-5-7-17(8-6-16)30-13-20(27-28-30)23(32)29-10-2-3-11-29/h4,9,12-13,16-17,26H,2-3,5-8,10-11H2,1H3,(H,25,31)
InChIKeySEHCLNNBFKOEBO-UHFFFAOYSA-N
MW454.96 g/mol
LogP3.87
Rot. Bonds4

About 5-chloro-3-methyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]-1H-indole-2-carboxamide

5-chloro-3-methyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]-1H-indole-2-carboxamide (PubChem CID 42540416) has the molecular formula C23H27ClN6O2 and a molecular weight of 454.96 g/mol. Its IUPAC name is 5-chloro-3-methyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-methyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]-1H-indole-2-carboxamide
PubChem CID42540416
Molecular FormulaC23H27ClN6O2
Molecular Weight454.96 g/mol
Exact Mass454.19
IUPAC Name5-chloro-3-methyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NC2CCC(n3cc(C(=O)N4CCCC4)nn3)CC2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C23H27ClN6O2/c1-14-18-12-15(24)4-9-19(18)26-21(14)22(31)25-16-5-7-17(8-6-16)30-13-20(27-28-30)23(32)29-10-2-3-11-29/h4,9,12-13,16-17,26H,2-3,5-8,10-11H2,1H3,(H,25,31)
InChIKeySEHCLNNBFKOEBO-UHFFFAOYSA-N
XLogP3.87
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.96
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 5-chloro-3-methyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

ethyl 4-[(5-chloro-3-methyl-1H-indole-2-carbonyl)amino]piperidine-1-carboxylate
CID 113204728
[1-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 42398197
1-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-cyclopentyltriazole-4-carboxamide
CID 26361027
1-[4-[(3-chlorobenzoyl)amino]cyclohexyl]-N-cyclopropyltriazole-4-carboxamide
CID 42376894
4-tert-butyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide
CID 42361479
(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(1-cyclohexyltriazol-4-yl)methanone
CID 42510330
N-cyclopropyl-1-[4-[(3-methylbenzoyl)amino]cyclohexyl]triazole-4-carboxamide
CID 42362299
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(3,5-dichloro-1H-indol-2-yl)methanone
CID 49222808
(5-chloro-3-methyl-1H-indol-2-yl)-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97279210
5-chloro-3-methyl-1H-indole-2-carboxamide
CID 14567452
(5-chloro-3-methyl-1H-indol-2-yl)-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]methanone
CID 25276857
[4-(4-chlorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 119843531

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-methyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]-1H-indole-2-carboxamide (CID 42540416) is 5-chloro-3-methyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-methyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-methyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]-1H-indole-2-carboxamide is Cc1c(C(=O)NC2CCC(n3cc(C(=O)N4CCCC4)nn3)CC2)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-methyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]-1H-indole-2-carboxamide?
The InChIKey is SEHCLNNBFKOEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN6O2/c1-14-18-12-15(24)4-9-19(18)26-21(14)22(31)25-16-5-7-17(8-6-16)30-13-20(27-28-30)23(32)29-10-2-3-11-29/h4,9,12-13,16-17,26H,2-3,5-8,10-11H2,1H3,(H,25,31).
What are the key properties of 5-chloro-3-methyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]-1H-indole-2-carboxamide?
5-chloro-3-methyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]-1H-indole-2-carboxamide has a molecular weight of 454.96 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 42540416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).