5-chloro-N-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclohexyl]-1H-indole-2-carboxamide

C20H24ClN3O3 — CID 169419552

IUPAC5-chloro-N-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclohexyl]-1H-indole-2-carboxamide
SMILESO=C(NC1CCC(C(=O)N2CC[C@H](O)C2)CC1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C20H24ClN3O3/c21-14-3-6-17-13(9-14)10-18(23-17)19(26)22-15-4-1-12(2-5-15)20(27)24-8-7-16(25)11-24/h3,6,9-10,12,15-16,23,25H,1-2,4-5,7-8,11H2,(H,22,26)/t12?,15?,16-/m0/s1
InChIKeyVOEVVGODNBTAGB-MOQPWLNLSA-N
MW389.88 g/mol
LogP2.70
Rot. Bonds3

About 5-chloro-N-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclohexyl]-1H-indole-2-carboxamide

5-chloro-N-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclohexyl]-1H-indole-2-carboxamide (PubChem CID 169419552) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is 5-chloro-N-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclohexyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclohexyl]-1H-indole-2-carboxamide
PubChem CID169419552
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name5-chloro-N-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclohexyl]-1H-indole-2-carboxamide
SMILESO=C(NC1CCC(C(=O)N2CC[C@H](O)C2)CC1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C20H24ClN3O3/c21-14-3-6-17-13(9-14)10-18(23-17)19(26)22-15-4-1-12(2-5-15)20(27)24-8-7-16(25)11-24/h3,6,9-10,12,15-16,23,25H,1-2,4-5,7-8,11H2,(H,22,26)/t12?,15?,16-/m0/s1
InChIKeyVOEVVGODNBTAGB-MOQPWLNLSA-N
XLogP2.70
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250
N-[(4S)-1-acetyl-3-hydroxypiperidin-4-yl]-5-chloro-1H-indole-2-carboxamide
CID 163527865
N-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole-2-carboxamide
CID 2814764
tert-butyl (4S)-3-amino-4-[(5-chloro-1H-indole-2-carbonyl)amino]piperidine-1-carboxylate
CID 68602421
5-chloro-N-[(3R)-3-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide
CID 11510762
(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
N-(4-acetylcyclohexyl)-5-chloro-1H-indole-2-carboxamide;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 142089249
N-[(1R,2R)-2-aminocyclopentyl]-5-chloro-1H-indole-2-carboxamide
CID 18442871
5-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-indole-2-carboxamide
CID 154568197
(5-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111562101
N'-[(1R,2S,5S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-N-(1-methylpiperidin-4-yl)oxamide;hydrochloride
CID 67056735
N-[(1R,2S,5S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-5-[(3S)-3-fluoropyrrolidine-1-carbonyl]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 58822103

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclohexyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclohexyl]-1H-indole-2-carboxamide (CID 169419552) is 5-chloro-N-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclohexyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclohexyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclohexyl]-1H-indole-2-carboxamide is O=C(NC1CCC(C(=O)N2CC[C@H](O)C2)CC1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclohexyl]-1H-indole-2-carboxamide?
The InChIKey is VOEVVGODNBTAGB-MOQPWLNLSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c21-14-3-6-17-13(9-14)10-18(23-17)19(26)22-15-4-1-12(2-5-15)20(27)24-8-7-16(25)11-24/h3,6,9-10,12,15-16,23,25H,1-2,4-5,7-8,11H2,(H,22,26)/t12?,15?,16-/m0/s1.
What are the key properties of 5-chloro-N-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclohexyl]-1H-indole-2-carboxamide?
5-chloro-N-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclohexyl]-1H-indole-2-carboxamide has a molecular weight of 389.88 g/mol, XLogP of 2.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclohexyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 169419552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).