5-chloro-N-[(1S,2R)-2-[(1-propan-2-ylpiperidine-4-carbonyl)amino]cyclohexyl]-1H-indole-2-carboxamide

C24H33ClN4O2 — CID 58822060

IUPAC5-chloro-N-[(1S,2R)-2-[(1-propan-2-ylpiperidine-4-carbonyl)amino]cyclohexyl]-1H-indole-2-carboxamide
SMILESCC(C)N1CCC(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C24H33ClN4O2/c1-15(2)29-11-9-16(10-12-29)23(30)27-20-5-3-4-6-21(20)28-24(31)22-14-17-13-18(25)7-8-19(17)26-22/h7-8,13-16,20-21,26H,3-6,9-12H2,1-2H3,(H,27,30)(H,28,31)/t20-,21+/m1/s1
InChIKeyFPJARSBQTRTROD-RTWAWAEBSA-N
MW445.01 g/mol
LogP4.10
Rot. Bonds5

About 5-chloro-N-[(1S,2R)-2-[(1-propan-2-ylpiperidine-4-carbonyl)amino]cyclohexyl]-1H-indole-2-carboxamide

5-chloro-N-[(1S,2R)-2-[(1-propan-2-ylpiperidine-4-carbonyl)amino]cyclohexyl]-1H-indole-2-carboxamide (PubChem CID 58822060) has the molecular formula C24H33ClN4O2 and a molecular weight of 445.01 g/mol. Its IUPAC name is 5-chloro-N-[(1S,2R)-2-[(1-propan-2-ylpiperidine-4-carbonyl)amino]cyclohexyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1S,2R)-2-[(1-propan-2-ylpiperidine-4-carbonyl)amino]cyclohexyl]-1H-indole-2-carboxamide
PubChem CID58822060
Molecular FormulaC24H33ClN4O2
Molecular Weight445.01 g/mol
Exact Mass444.23
IUPAC Name5-chloro-N-[(1S,2R)-2-[(1-propan-2-ylpiperidine-4-carbonyl)amino]cyclohexyl]-1H-indole-2-carboxamide
SMILESCC(C)N1CCC(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C24H33ClN4O2/c1-15(2)29-11-9-16(10-12-29)23(30)27-20-5-3-4-6-21(20)28-24(31)22-14-17-13-18(25)7-8-19(17)26-22/h7-8,13-16,20-21,26H,3-6,9-12H2,1-2H3,(H,27,30)(H,28,31)/t20-,21+/m1/s1
InChIKeyFPJARSBQTRTROD-RTWAWAEBSA-N
XLogP4.10
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.01
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-[(1S,2R)-2-[(1-propan-2-ylpiperidine-4-carbonyl)amino]cyclohexyl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[(1R,2R)-2-aminocyclopentyl]-5-chloro-1H-indole-2-carboxamide
CID 18442871
5-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclohexyl]-1H-indole-2-carboxamide
CID 11488766
tert-butyl 4-[3-[[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]amino]-3-oxopropyl]piperidine-1-carboxylate
CID 91268112
5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250
N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
CID 68907992
N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
CID 68909270
N-[(4S)-1-acetyl-3-hydroxypiperidin-4-yl]-5-chloro-1H-indole-2-carboxamide
CID 163527865
N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
CID 58822246
N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide;hydrochloride
CID 68907144
N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 58822130
5-chloro-N-[2-[[4-(1-oxidopyridin-1-ium-4-yl)benzoyl]amino]cyclohexyl]-1H-indole-2-carboxamide
CID 67188500
N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-2-carboxamide
CID 51219847

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S,2R)-2-[(1-propan-2-ylpiperidine-4-carbonyl)amino]cyclohexyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1S,2R)-2-[(1-propan-2-ylpiperidine-4-carbonyl)amino]cyclohexyl]-1H-indole-2-carboxamide (CID 58822060) is 5-chloro-N-[(1S,2R)-2-[(1-propan-2-ylpiperidine-4-carbonyl)amino]cyclohexyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1S,2R)-2-[(1-propan-2-ylpiperidine-4-carbonyl)amino]cyclohexyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1S,2R)-2-[(1-propan-2-ylpiperidine-4-carbonyl)amino]cyclohexyl]-1H-indole-2-carboxamide is CC(C)N1CCC(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1.
What is the InChIKey of 5-chloro-N-[(1S,2R)-2-[(1-propan-2-ylpiperidine-4-carbonyl)amino]cyclohexyl]-1H-indole-2-carboxamide?
The InChIKey is FPJARSBQTRTROD-RTWAWAEBSA-N. The full InChI is InChI=1S/C24H33ClN4O2/c1-15(2)29-11-9-16(10-12-29)23(30)27-20-5-3-4-6-21(20)28-24(31)22-14-17-13-18(25)7-8-19(17)26-22/h7-8,13-16,20-21,26H,3-6,9-12H2,1-2H3,(H,27,30)(H,28,31)/t20-,21+/m1/s1.
What are the key properties of 5-chloro-N-[(1S,2R)-2-[(1-propan-2-ylpiperidine-4-carbonyl)amino]cyclohexyl]-1H-indole-2-carboxamide?
5-chloro-N-[(1S,2R)-2-[(1-propan-2-ylpiperidine-4-carbonyl)amino]cyclohexyl]-1H-indole-2-carboxamide has a molecular weight of 445.01 g/mol, XLogP of 4.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S,2R)-2-[(1-propan-2-ylpiperidine-4-carbonyl)amino]cyclohexyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 58822060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).