[5-chloro-7-(oxan-4-ylamino)-1H-indol-2-yl]-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone

C24H33ClN4O2 — CID 121433329

IUPAC[5-chloro-7-(oxan-4-ylamino)-1H-indol-2-yl]-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc2cc(Cl)cc(NC3CCOCC3)c2[nH]1)N1CCC(CN2CCCCC2)C1
InChIInChI=1S/C24H33ClN4O2/c25-19-12-18-13-22(27-23(18)21(14-19)26-20-5-10-31-11-6-20)24(30)29-9-4-17(16-29)15-28-7-2-1-3-8-28/h12-14,17,20,26-27H,1-11,15-16H2
InChIKeyYTCUVVXEHUTAKQ-UHFFFAOYSA-N
MW445.01 g/mol
LogP4.36
Rot. Bonds5

About [5-chloro-7-(oxan-4-ylamino)-1H-indol-2-yl]-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone

[5-chloro-7-(oxan-4-ylamino)-1H-indol-2-yl]-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 121433329) has the molecular formula C24H33ClN4O2 and a molecular weight of 445.01 g/mol. Its IUPAC name is [5-chloro-7-(oxan-4-ylamino)-1H-indol-2-yl]-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-chloro-7-(oxan-4-ylamino)-1H-indol-2-yl]-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID121433329
Molecular FormulaC24H33ClN4O2
Molecular Weight445.01 g/mol
Exact Mass444.23
IUPAC Name[5-chloro-7-(oxan-4-ylamino)-1H-indol-2-yl]-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc2cc(Cl)cc(NC3CCOCC3)c2[nH]1)N1CCC(CN2CCCCC2)C1
InChIInChI=1S/C24H33ClN4O2/c25-19-12-18-13-22(27-23(18)21(14-19)26-20-5-10-31-11-6-20)24(30)29-9-4-17(16-29)15-28-7-2-1-3-8-28/h12-14,17,20,26-27H,1-11,15-16H2
InChIKeyYTCUVVXEHUTAKQ-UHFFFAOYSA-N
XLogP4.36
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.01
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [5-chloro-7-(oxan-4-ylamino)-1H-indol-2-yl]-[3-(piperidin-1-ylmethyl)pyrrolidin-1-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

Related Compounds

(3R)-1-[5-chloro-7-(oxan-4-ylamino)-1H-indole-2-carbonyl]pyrrolidine-3-carboxylic acid;[5-chloro-7-(oxan-4-ylamino)-1H-indol-2-yl]-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 121452923
[(3S)-3-aminopyrrolidin-1-yl]-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]methanone
CID 121433323
5-chloro-7-(cyclopentylamino)-1H-indole-2-carboxylic acid
CID 121433306
1-[2-[2-[5-chloro-7-(oxan-4-ylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperidine-3-carboxylic acid
CID 66974210
(3-aminopyrrolidin-1-yl)-(5-chloro-7-fluoro-1H-indol-2-yl)methanone
CID 139371790
(5-chloro-7-methyl-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone
CID 70684084
(3-chloro-5-methylphenyl)-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124592867
[1-(5-chloro-7-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]carbamic acid
CID 139371705
N-(5-chloro-2-methylphenyl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 75510503
tert-butyl 4-[2-[2-[5-chloro-7-(oxan-4-ylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazine-1-carboxylate
CID 68636342
(5-chloro-7-methyl-1H-indol-2-yl)-[3-(methylamino)azetidin-1-yl]methanone
CID 66573462
[(3R)-3-aminopyrrolidin-1-yl]-(5,6-dichloro-1H-indol-2-yl)methanone
CID 139371774

Frequently Asked Questions

What is the IUPAC name of [5-chloro-7-(oxan-4-ylamino)-1H-indol-2-yl]-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-chloro-7-(oxan-4-ylamino)-1H-indol-2-yl]-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 121433329) is [5-chloro-7-(oxan-4-ylamino)-1H-indol-2-yl]-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-chloro-7-(oxan-4-ylamino)-1H-indol-2-yl]-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-chloro-7-(oxan-4-ylamino)-1H-indol-2-yl]-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone is O=C(c1cc2cc(Cl)cc(NC3CCOCC3)c2[nH]1)N1CCC(CN2CCCCC2)C1.
What is the InChIKey of [5-chloro-7-(oxan-4-ylamino)-1H-indol-2-yl]-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is YTCUVVXEHUTAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN4O2/c25-19-12-18-13-22(27-23(18)21(14-19)26-20-5-10-31-11-6-20)24(30)29-9-4-17(16-29)15-28-7-2-1-3-8-28/h12-14,17,20,26-27H,1-11,15-16H2.
What are the key properties of [5-chloro-7-(oxan-4-ylamino)-1H-indol-2-yl]-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
[5-chloro-7-(oxan-4-ylamino)-1H-indol-2-yl]-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 445.01 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-7-(oxan-4-ylamino)-1H-indol-2-yl]-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 121433329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).