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

C21H23N5O2 — CID 175692683

IUPACN-(2-methoxyethyl)-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
SMILESCOCCNC(=O)N1CC2(CCn3nc(-c4cnc5ccccc5c4)cc32)C1
InChIInChI=1S/C21H23N5O2/c1-28-9-7-22-20(27)25-13-21(14-25)6-8-26-19(21)11-18(24-26)16-10-15-4-2-3-5-17(15)23-12-16/h2-5,10-12H,6-9,13-14H2,1H3,(H,22,27)
InChIKeySSWDZEYLHMVSEP-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.41
Rot. Bonds4

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

N-(2-methoxyethyl)-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide (PubChem CID 175692683) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
PubChem CID175692683
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-(2-methoxyethyl)-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
SMILESCOCCNC(=O)N1CC2(CCn3nc(-c4cnc5ccccc5c4)cc32)C1
InChIInChI=1S/C21H23N5O2/c1-28-9-7-22-20(27)25-13-21(14-25)6-8-26-19(21)11-18(24-26)16-10-15-4-2-3-5-17(15)23-12-16/h2-5,10-12H,6-9,13-14H2,1H3,(H,22,27)
InChIKeySSWDZEYLHMVSEP-UHFFFAOYSA-N
XLogP2.41
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-ethyl-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,4'-piperidine]-1'-carboxamide
CID 175692158
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
N-(2-methoxyethyl)quinoline-3-carboxamide
CID 110694742
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
[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-methyl-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 164859817
2-(1H-pyrazolo[3,4-b]pyridin-5-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 156726504
1-(2-methoxyethyl)-3-quinolin-3-ylurea
CID 175700628
2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(pyrimidin-4-ylmethyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
CID 164858674
(4R)-2-[6-amino-5-(2-fluorophenyl)-3-pyridinyl]-N-ethylspiro[6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-4,3'-pyrrolidine]-1'-carboxamide
CID 175779934

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide (CID 175692683) is N-(2-methoxyethyl)-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide is COCCNC(=O)N1CC2(CCn3nc(-c4cnc5ccccc5c4)cc32)C1.
What is the InChIKey of N-(2-methoxyethyl)-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide?
The InChIKey is SSWDZEYLHMVSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-28-9-7-22-20(27)25-13-21(14-25)6-8-26-19(21)11-18(24-26)16-10-15-4-2-3-5-17(15)23-12-16/h2-5,10-12H,6-9,13-14H2,1H3,(H,22,27).
What are the key properties of N-(2-methoxyethyl)-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide?
N-(2-methoxyethyl)-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide is sourced from PubChem (CID 175692683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).