(5-chloro-7-methyl-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone

C15H18ClN3O — CID 70684084

IUPAC(5-chloro-7-methyl-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone
SMILESCN[C@@H]1CCN(C(=O)c2cc3cc(Cl)cc(C)c3[nH]2)C1
InChIInChI=1S/C15H18ClN3O/c1-9-5-11(16)6-10-7-13(18-14(9)10)15(20)19-4-3-12(8-19)17-2/h5-7,12,17-18H,3-4,8H2,1-2H3/t12-/m1/s1
InChIKeyNCAHDEYGELPFIO-GFCCVEGCSA-N
MW291.78 g/mol
LogP2.56
Rot. Bonds2

About (5-chloro-7-methyl-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone

(5-chloro-7-methyl-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone (PubChem CID 70684084) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is (5-chloro-7-methyl-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-7-methyl-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone
PubChem CID70684084
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name(5-chloro-7-methyl-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone
SMILESCN[C@@H]1CCN(C(=O)c2cc3cc(Cl)cc(C)c3[nH]2)C1
InChIInChI=1S/C15H18ClN3O/c1-9-5-11(16)6-10-7-13(18-14(9)10)15(20)19-4-3-12(8-19)17-2/h5-7,12,17-18H,3-4,8H2,1-2H3/t12-/m1/s1
InChIKeyNCAHDEYGELPFIO-GFCCVEGCSA-N
XLogP2.56
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-7-methyl-1H-indol-2-yl)-[3-(methylamino)azetidin-1-yl]methanone
CID 66573462
[1-(5-chloro-7-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]carbamic acid
CID 139371705
(5-fluoro-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone
CID 24764568
(3-aminopyrrolidin-1-yl)-(5-chloro-7-fluoro-1H-indol-2-yl)methanone
CID 139371790
[(3S)-3-aminopyrrolidin-1-yl]-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]methanone
CID 121433323
(4-chloro-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 112701154
(4-chloro-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535398
(2,5-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413676
[5-chloro-7-(oxan-4-ylamino)-1H-indol-2-yl]-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 121433329
(3,4-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413636
[3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 81467156
(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

Frequently Asked Questions

What is the IUPAC name of (5-chloro-7-methyl-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-chloro-7-methyl-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone (CID 70684084) is (5-chloro-7-methyl-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-7-methyl-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-chloro-7-methyl-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone is CN[C@@H]1CCN(C(=O)c2cc3cc(Cl)cc(C)c3[nH]2)C1.
What is the InChIKey of (5-chloro-7-methyl-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone?
The InChIKey is NCAHDEYGELPFIO-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-9-5-11(16)6-10-7-13(18-14(9)10)15(20)19-4-3-12(8-19)17-2/h5-7,12,17-18H,3-4,8H2,1-2H3/t12-/m1/s1.
What are the key properties of (5-chloro-7-methyl-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone?
(5-chloro-7-methyl-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone has a molecular weight of 291.78 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-7-methyl-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 70684084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).