N-(2-oxopyrrolidin-3-yl)-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide

C22H22N6O2 — CID 175692632

IUPACN-(2-oxopyrrolidin-3-yl)-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
SMILESO=C1NCCC1NC(=O)N1CC2(CCn3nc(-c4cnc5ccccc5c4)cc32)C1
InChIInChI=1S/C22H22N6O2/c29-20-17(5-7-23-20)25-21(30)27-12-22(13-27)6-8-28-19(22)10-18(26-28)15-9-14-3-1-2-4-16(14)24-11-15/h1-4,9-11,17H,5-8,12-13H2,(H,23,29)(H,25,30)
InChIKeyNDQASBQBWYIBRX-UHFFFAOYSA-N
MW402.46 g/mol
LogP1.65
Rot. Bonds2

About N-(2-oxopyrrolidin-3-yl)-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide

N-(2-oxopyrrolidin-3-yl)-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide (PubChem CID 175692632) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is N-(2-oxopyrrolidin-3-yl)-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide.

Molecular Properties

Compound NameN-(2-oxopyrrolidin-3-yl)-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
PubChem CID175692632
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC NameN-(2-oxopyrrolidin-3-yl)-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
SMILESO=C1NCCC1NC(=O)N1CC2(CCn3nc(-c4cnc5ccccc5c4)cc32)C1
InChIInChI=1S/C22H22N6O2/c29-20-17(5-7-23-20)25-21(30)27-12-22(13-27)6-8-28-19(22)10-18(26-28)15-9-14-3-1-2-4-16(14)24-11-15/h1-4,9-11,17H,5-8,12-13H2,(H,23,29)(H,25,30)
InChIKeyNDQASBQBWYIBRX-UHFFFAOYSA-N
XLogP1.65
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-quinolin-3-yl-N-(2,2,2-trifluoroethyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
CID 175692684
N-(2-methoxyethyl)-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
CID 175692683
N-ethyl-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,4'-piperidine]-1'-carboxamide
CID 175692158
3-methoxy-1-(2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-yl)propan-1-one
CID 175692263
N-ethyl-2-(6-fluoroquinolin-3-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
CID 175692242
1'-(1H-imidazol-5-ylmethyl)-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]
CID 175692209
[1-(1-methylimidazol-2-yl)ethylamino]-(2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl)methanol
CID 156726603
2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-[(1S)-1-pyridin-3-ylethyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
CID 164859930
2-[6-amino-5-[(2-chlorophenyl)methoxy]-3-pyridinyl]-N-cyclobutylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 164858933
2-(6-amino-5-cyano-3-pyridinyl)-N-(1-pyridin-2-ylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
CID 164858725
4-cyano-N-[(3S)-2-oxopyrrolidin-3-yl]-4-phenylpiperidine-1-carboxamide
CID 125442068
2-[6-amino-5-[(1S)-1-(2-chlorophenyl)ethoxy]-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
CID 164858675

Frequently Asked Questions

What is the IUPAC name of N-(2-oxopyrrolidin-3-yl)-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide?
The IUPAC name of N-(2-oxopyrrolidin-3-yl)-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide (CID 175692632) is N-(2-oxopyrrolidin-3-yl)-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide.
What is the SMILES notation for N-(2-oxopyrrolidin-3-yl)-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide?
The canonical SMILES for N-(2-oxopyrrolidin-3-yl)-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide is O=C1NCCC1NC(=O)N1CC2(CCn3nc(-c4cnc5ccccc5c4)cc32)C1.
What is the InChIKey of N-(2-oxopyrrolidin-3-yl)-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide?
The InChIKey is NDQASBQBWYIBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c29-20-17(5-7-23-20)25-21(30)27-12-22(13-27)6-8-28-19(22)10-18(26-28)15-9-14-3-1-2-4-16(14)24-11-15/h1-4,9-11,17H,5-8,12-13H2,(H,23,29)(H,25,30).
What are the key properties of N-(2-oxopyrrolidin-3-yl)-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide?
N-(2-oxopyrrolidin-3-yl)-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopyrrolidin-3-yl)-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide is sourced from PubChem (CID 175692632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).