N-ethyl-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,4'-piperidine]-1'-carboxamide

C22H25N5O — CID 175692158

IUPACN-ethyl-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,4'-piperidine]-1'-carboxamide
SMILESCCNC(=O)N1CCC2(CC1)CCn1nc(-c3cnc4ccccc4c3)cc12
InChIInChI=1S/C22H25N5O/c1-2-23-21(28)26-10-7-22(8-11-26)9-12-27-20(22)14-19(25-27)17-13-16-5-3-4-6-18(16)24-15-17/h3-6,13-15H,2,7-12H2,1H3,(H,23,28)
InChIKeyFJZJXZBKMWEJQP-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.57
Rot. Bonds2

About N-ethyl-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,4'-piperidine]-1'-carboxamide

N-ethyl-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,4'-piperidine]-1'-carboxamide (PubChem CID 175692158) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-ethyl-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,4'-piperidine]-1'-carboxamide
PubChem CID175692158
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-ethyl-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,4'-piperidine]-1'-carboxamide
SMILESCCNC(=O)N1CCC2(CC1)CCn1nc(-c3cnc4ccccc4c3)cc12
InChIInChI=1S/C22H25N5O/c1-2-23-21(28)26-10-7-22(8-11-26)9-12-27-20(22)14-19(25-27)17-13-16-5-3-4-6-18(16)24-15-17/h3-6,13-15H,2,7-12H2,1H3,(H,23,28)
InChIKeyFJZJXZBKMWEJQP-UHFFFAOYSA-N
XLogP3.57
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-ethyl-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,4'-piperidine]-1'-carboxamide (CID 175692158) is N-ethyl-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-ethyl-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-ethyl-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,4'-piperidine]-1'-carboxamide is CCNC(=O)N1CCC2(CC1)CCn1nc(-c3cnc4ccccc4c3)cc12.
What is the InChIKey of N-ethyl-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,4'-piperidine]-1'-carboxamide?
The InChIKey is FJZJXZBKMWEJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-2-23-21(28)26-10-7-22(8-11-26)9-12-27-20(22)14-19(25-27)17-13-16-5-3-4-6-18(16)24-15-17/h3-6,13-15H,2,7-12H2,1H3,(H,23,28).
What are the key properties of N-ethyl-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,4'-piperidine]-1'-carboxamide?
N-ethyl-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,4'-piperidine]-1'-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 175692158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).