N-ethyl-6-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]-2,3-dihydroindole-1-carboxamide;hydrochloride

C20H27ClN6O2 — CID 120934757

IUPACN-ethyl-6-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]-2,3-dihydroindole-1-carboxamide;hydrochloride
SMILESCCNC(=O)N1CCc2ccc(NC(=O)[C@H]3CNC[C@@H]3c3cnn(C)c3)cc21.Cl
InChIInChI=1S/C20H26N6O2.ClH/c1-3-22-20(28)26-7-6-13-4-5-15(8-18(13)26)24-19(27)17-11-21-10-16(17)14-9-23-25(2)12-14;/h4-5,8-9,12,16-17,21H,3,6-7,10-11H2,1-2H3,(H,22,28)(H,24,27);1H/t16-,17+;/m1./s1
InChIKeyZNIPCBCXDJGRPH-PPPUBMIESA-N
MW418.93 g/mol
LogP1.88
Rot. Bonds4

About N-ethyl-6-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]-2,3-dihydroindole-1-carboxamide;hydrochloride

N-ethyl-6-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]-2,3-dihydroindole-1-carboxamide;hydrochloride (PubChem CID 120934757) has the molecular formula C20H27ClN6O2 and a molecular weight of 418.93 g/mol. Its IUPAC name is N-ethyl-6-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]-2,3-dihydroindole-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-6-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]-2,3-dihydroindole-1-carboxamide;hydrochloride
PubChem CID120934757
Molecular FormulaC20H27ClN6O2
Molecular Weight418.93 g/mol
Exact Mass418.19
IUPAC NameN-ethyl-6-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]-2,3-dihydroindole-1-carboxamide;hydrochloride
SMILESCCNC(=O)N1CCc2ccc(NC(=O)[C@H]3CNC[C@@H]3c3cnn(C)c3)cc21.Cl
InChIInChI=1S/C20H26N6O2.ClH/c1-3-22-20(28)26-7-6-13-4-5-15(8-18(13)26)24-19(27)17-11-21-10-16(17)14-9-23-25(2)12-14;/h4-5,8-9,12,16-17,21H,3,6-7,10-11H2,1-2H3,(H,22,28)(H,24,27);1H/t16-,17+;/m1./s1
InChIKeyZNIPCBCXDJGRPH-PPPUBMIESA-N
XLogP1.88
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.93
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120932206
(6-chloro-2,3-dihydroindol-1-yl)-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;hydrochloride
CID 120929229
(3R,4S)-N-(4-ethylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917505
(3R,4S)-N-(9H-fluoren-2-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120918242
(3R,4S)-N-(3-acetamidophenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917163
(3R,4S)-N-(4-ethoxyphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917018
(3R,4S)-N-(3-carbamoyl-4-chlorophenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120922591
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(2-oxochromen-6-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120927107
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(1-propylindol-6-yl)pyrrolidine-3-carboxamide
CID 120934285
(3R,4S)-N-(3,4-dihydro-2H-chromen-6-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120930221
(3R,4S)-N-[4-(3-methylbutanoylamino)phenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120921302
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[4-(propylsulfonylamino)phenyl]pyrrolidine-3-carboxamide
CID 120928327

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]-2,3-dihydroindole-1-carboxamide;hydrochloride?
The IUPAC name of N-ethyl-6-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]-2,3-dihydroindole-1-carboxamide;hydrochloride (CID 120934757) is N-ethyl-6-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]-2,3-dihydroindole-1-carboxamide;hydrochloride.
What is the SMILES notation for N-ethyl-6-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]-2,3-dihydroindole-1-carboxamide;hydrochloride?
The canonical SMILES for N-ethyl-6-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]-2,3-dihydroindole-1-carboxamide;hydrochloride is CCNC(=O)N1CCc2ccc(NC(=O)[C@H]3CNC[C@@H]3c3cnn(C)c3)cc21.Cl.
What is the InChIKey of N-ethyl-6-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]-2,3-dihydroindole-1-carboxamide;hydrochloride?
The InChIKey is ZNIPCBCXDJGRPH-PPPUBMIESA-N. The full InChI is InChI=1S/C20H26N6O2.ClH/c1-3-22-20(28)26-7-6-13-4-5-15(8-18(13)26)24-19(27)17-11-21-10-16(17)14-9-23-25(2)12-14;/h4-5,8-9,12,16-17,21H,3,6-7,10-11H2,1-2H3,(H,22,28)(H,24,27);1H/t16-,17+;/m1./s1.
What are the key properties of N-ethyl-6-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]-2,3-dihydroindole-1-carboxamide;hydrochloride?
N-ethyl-6-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]-2,3-dihydroindole-1-carboxamide;hydrochloride has a molecular weight of 418.93 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]-2,3-dihydroindole-1-carboxamide;hydrochloride is sourced from PubChem (CID 120934757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).