[(3S)-3-aminopyrrolidin-1-yl]-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]methanone

C18H23ClN4O — CID 121433323

IUPAC[(3S)-3-aminopyrrolidin-1-yl]-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]methanone
SMILESN[C@H]1CCN(C(=O)c2cc3cc(Cl)cc(NC4CCCC4)c3[nH]2)C1
InChIInChI=1S/C18H23ClN4O/c19-12-7-11-8-16(18(24)23-6-5-13(20)10-23)22-17(11)15(9-12)21-14-3-1-2-4-14/h7-9,13-14,21-22H,1-6,10,20H2/t13-/m0/s1
InChIKeyXQFLTIGZHSCWKW-ZDUSSCGKSA-N
MW346.86 g/mol
LogP3.35
Rot. Bonds3

About [(3S)-3-aminopyrrolidin-1-yl]-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]methanone

[(3S)-3-aminopyrrolidin-1-yl]-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]methanone (PubChem CID 121433323) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is [(3S)-3-aminopyrrolidin-1-yl]-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-aminopyrrolidin-1-yl]-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]methanone
PubChem CID121433323
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name[(3S)-3-aminopyrrolidin-1-yl]-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]methanone
SMILESN[C@H]1CCN(C(=O)c2cc3cc(Cl)cc(NC4CCCC4)c3[nH]2)C1
InChIInChI=1S/C18H23ClN4O/c19-12-7-11-8-16(18(24)23-6-5-13(20)10-23)22-17(11)15(9-12)21-14-3-1-2-4-14/h7-9,13-14,21-22H,1-6,10,20H2/t13-/m0/s1
InChIKeyXQFLTIGZHSCWKW-ZDUSSCGKSA-N
XLogP3.35
TPSA74.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [(3S)-3-aminopyrrolidin-1-yl]-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]methanone?
The IUPAC name of [(3S)-3-aminopyrrolidin-1-yl]-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]methanone (CID 121433323) is [(3S)-3-aminopyrrolidin-1-yl]-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]methanone.
What is the SMILES notation for [(3S)-3-aminopyrrolidin-1-yl]-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]methanone?
The canonical SMILES for [(3S)-3-aminopyrrolidin-1-yl]-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]methanone is N[C@H]1CCN(C(=O)c2cc3cc(Cl)cc(NC4CCCC4)c3[nH]2)C1.
What is the InChIKey of [(3S)-3-aminopyrrolidin-1-yl]-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]methanone?
The InChIKey is XQFLTIGZHSCWKW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23ClN4O/c19-12-7-11-8-16(18(24)23-6-5-13(20)10-23)22-17(11)15(9-12)21-14-3-1-2-4-14/h7-9,13-14,21-22H,1-6,10,20H2/t13-/m0/s1.
What are the key properties of [(3S)-3-aminopyrrolidin-1-yl]-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]methanone?
[(3S)-3-aminopyrrolidin-1-yl]-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]methanone has a molecular weight of 346.86 g/mol, XLogP of 3.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-aminopyrrolidin-1-yl]-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]methanone is sourced from PubChem (CID 121433323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).