[3-(3-chlorophenyl)pyrrolidin-1-yl]-[4-(pyrazin-2-ylamino)cyclohexyl]methanone

C21H25ClN4O — CID 170503246

IUPAC[3-(3-chlorophenyl)pyrrolidin-1-yl]-[4-(pyrazin-2-ylamino)cyclohexyl]methanone
SMILESO=C(C1CCC(Nc2cnccn2)CC1)N1CCC(c2cccc(Cl)c2)C1
InChIInChI=1S/C21H25ClN4O/c22-18-3-1-2-16(12-18)17-8-11-26(14-17)21(27)15-4-6-19(7-5-15)25-20-13-23-9-10-24-20/h1-3,9-10,12-13,15,17,19H,4-8,11,14H2,(H,24,25)
InChIKeyONCGXTKTAVSCGX-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.12
Rot. Bonds4

About [3-(3-chlorophenyl)pyrrolidin-1-yl]-[4-(pyrazin-2-ylamino)cyclohexyl]methanone

[3-(3-chlorophenyl)pyrrolidin-1-yl]-[4-(pyrazin-2-ylamino)cyclohexyl]methanone (PubChem CID 170503246) has the molecular formula C21H25ClN4O and a molecular weight of 384.91 g/mol. Its IUPAC name is [3-(3-chlorophenyl)pyrrolidin-1-yl]-[4-(pyrazin-2-ylamino)cyclohexyl]methanone.

Molecular Properties

Compound Name[3-(3-chlorophenyl)pyrrolidin-1-yl]-[4-(pyrazin-2-ylamino)cyclohexyl]methanone
PubChem CID170503246
Molecular FormulaC21H25ClN4O
Molecular Weight384.91 g/mol
Exact Mass384.17
IUPAC Name[3-(3-chlorophenyl)pyrrolidin-1-yl]-[4-(pyrazin-2-ylamino)cyclohexyl]methanone
SMILESO=C(C1CCC(Nc2cnccn2)CC1)N1CCC(c2cccc(Cl)c2)C1
InChIInChI=1S/C21H25ClN4O/c22-18-3-1-2-16(12-18)17-8-11-26(14-17)21(27)15-4-6-19(7-5-15)25-20-13-23-9-10-24-20/h1-3,9-10,12-13,15,17,19H,4-8,11,14H2,(H,24,25)
InChIKeyONCGXTKTAVSCGX-UHFFFAOYSA-N
XLogP4.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(3-chlorophenyl)pyrrolidin-1-yl]-[4-(pyrazin-2-ylamino)cyclohexyl]methanone with MolForge

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Related Compounds

1-[4-[3-(3-chlorophenyl)azetidine-1-carbonyl]piperidin-1-yl]ethanone
CID 146150629
cyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone
CID 175863488
cyclopentyl-[3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 118740278
cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887079
[4-(3-chloroanilino)cyclohexyl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 68595067
2-phenyl-1-[3-(pyrazin-2-ylamino)pyrrolidin-1-yl]ethanone
CID 167905138
5-[3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 166204209
cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 51003388
cyclopropyl-[4-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97138893
N-[3-(3-fluorophenyl)cyclobutyl]pyrazin-2-amine
CID 122139755
(3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpyrrolidine-1-carboxamide
CID 95592066
1-[(3S)-3-(3-chlorophenyl)pyrrolidin-1-yl]-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone
CID 42162493

Frequently Asked Questions

What is the IUPAC name of [3-(3-chlorophenyl)pyrrolidin-1-yl]-[4-(pyrazin-2-ylamino)cyclohexyl]methanone?
The IUPAC name of [3-(3-chlorophenyl)pyrrolidin-1-yl]-[4-(pyrazin-2-ylamino)cyclohexyl]methanone (CID 170503246) is [3-(3-chlorophenyl)pyrrolidin-1-yl]-[4-(pyrazin-2-ylamino)cyclohexyl]methanone.
What is the SMILES notation for [3-(3-chlorophenyl)pyrrolidin-1-yl]-[4-(pyrazin-2-ylamino)cyclohexyl]methanone?
The canonical SMILES for [3-(3-chlorophenyl)pyrrolidin-1-yl]-[4-(pyrazin-2-ylamino)cyclohexyl]methanone is O=C(C1CCC(Nc2cnccn2)CC1)N1CCC(c2cccc(Cl)c2)C1.
What is the InChIKey of [3-(3-chlorophenyl)pyrrolidin-1-yl]-[4-(pyrazin-2-ylamino)cyclohexyl]methanone?
The InChIKey is ONCGXTKTAVSCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O/c22-18-3-1-2-16(12-18)17-8-11-26(14-17)21(27)15-4-6-19(7-5-15)25-20-13-23-9-10-24-20/h1-3,9-10,12-13,15,17,19H,4-8,11,14H2,(H,24,25).
What are the key properties of [3-(3-chlorophenyl)pyrrolidin-1-yl]-[4-(pyrazin-2-ylamino)cyclohexyl]methanone?
[3-(3-chlorophenyl)pyrrolidin-1-yl]-[4-(pyrazin-2-ylamino)cyclohexyl]methanone has a molecular weight of 384.91 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chlorophenyl)pyrrolidin-1-yl]-[4-(pyrazin-2-ylamino)cyclohexyl]methanone is sourced from PubChem (CID 170503246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).