(6-chloro-2,3-dihydroindol-1-yl)-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;hydrochloride

C17H20Cl2N4O — CID 120929229

IUPAC(6-chloro-2,3-dihydroindol-1-yl)-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;hydrochloride
SMILESCl.Cn1cc([C@H]2CNC[C@@H]2C(=O)N2CCc3ccc(Cl)cc32)cn1
InChIInChI=1S/C17H19ClN4O.ClH/c1-21-10-12(7-20-21)14-8-19-9-15(14)17(23)22-5-4-11-2-3-13(18)6-16(11)22;/h2-3,6-7,10,14-15,19H,4-5,8-9H2,1H3;1H/t14-,15+;/m1./s1
InChIKeyNPJFPZRCJBVLIL-LIOBNPLQSA-N
MW367.28 g/mol
LogP2.39
Rot. Bonds2

About (6-chloro-2,3-dihydroindol-1-yl)-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;hydrochloride

(6-chloro-2,3-dihydroindol-1-yl)-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;hydrochloride (PubChem CID 120929229) has the molecular formula C17H20Cl2N4O and a molecular weight of 367.28 g/mol. Its IUPAC name is (6-chloro-2,3-dihydroindol-1-yl)-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(6-chloro-2,3-dihydroindol-1-yl)-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;hydrochloride
PubChem CID120929229
Molecular FormulaC17H20Cl2N4O
Molecular Weight367.28 g/mol
Exact Mass366.10
IUPAC Name(6-chloro-2,3-dihydroindol-1-yl)-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;hydrochloride
SMILESCl.Cn1cc([C@H]2CNC[C@@H]2C(=O)N2CCc3ccc(Cl)cc32)cn1
InChIInChI=1S/C17H19ClN4O.ClH/c1-21-10-12(7-20-21)14-8-19-9-15(14)17(23)22-5-4-11-2-3-13(18)6-16(11)22;/h2-3,6-7,10,14-15,19H,4-5,8-9H2,1H3;1H/t14-,15+;/m1./s1
InChIKeyNPJFPZRCJBVLIL-LIOBNPLQSA-N
XLogP2.39
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]-2,3-dihydroindole-1-carboxamide;hydrochloride
CID 120934757
(4-methyl-2,3-dihydroquinoxalin-1-yl)-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;dihydrochloride
CID 120939752
(3R,4S)-N-(2-acetamido-5-chlorophenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120928693
(3R,4S)-N-(3-chloro-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120917469
[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 120916885
1,3-dihydroisoindol-2-yl-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;hydrochloride
CID 120931629
(6-fluoro-2,3-dihydroindol-1-yl)-[(3S,4S)-4-(1-methylimidazol-4-yl)pyrrolidin-3-yl]methanone
CID 154778848
[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride
CID 120932214
(3R,4S)-N-[1-(4-chlorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120918884
(3R,4S)-N-[2-(4-chlorophenyl)-2-methylpropyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120926248
(3R,4S)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120927542
(3R,4S)-N-(3-chloro-4-methylphenyl)-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120931783

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2,3-dihydroindol-1-yl)-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;hydrochloride?
The IUPAC name of (6-chloro-2,3-dihydroindol-1-yl)-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;hydrochloride (CID 120929229) is (6-chloro-2,3-dihydroindol-1-yl)-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;hydrochloride.
What is the SMILES notation for (6-chloro-2,3-dihydroindol-1-yl)-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;hydrochloride?
The canonical SMILES for (6-chloro-2,3-dihydroindol-1-yl)-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;hydrochloride is Cl.Cn1cc([C@H]2CNC[C@@H]2C(=O)N2CCc3ccc(Cl)cc32)cn1.
What is the InChIKey of (6-chloro-2,3-dihydroindol-1-yl)-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;hydrochloride?
The InChIKey is NPJFPZRCJBVLIL-LIOBNPLQSA-N. The full InChI is InChI=1S/C17H19ClN4O.ClH/c1-21-10-12(7-20-21)14-8-19-9-15(14)17(23)22-5-4-11-2-3-13(18)6-16(11)22;/h2-3,6-7,10,14-15,19H,4-5,8-9H2,1H3;1H/t14-,15+;/m1./s1.
What are the key properties of (6-chloro-2,3-dihydroindol-1-yl)-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;hydrochloride?
(6-chloro-2,3-dihydroindol-1-yl)-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;hydrochloride has a molecular weight of 367.28 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2,3-dihydroindol-1-yl)-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;hydrochloride is sourced from PubChem (CID 120929229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).