2-(6-amino-5-methyl-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide

C18H24N6O — CID 164859817

IUPAC2-(6-amino-5-methyl-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
SMILESCCNC(=O)N1CCC2(CCn3nc(-c4cnc(N)c(C)c4)cc32)C1
InChIInChI=1S/C18H24N6O/c1-3-20-17(25)23-6-4-18(11-23)5-7-24-15(18)9-14(22-24)13-8-12(2)16(19)21-10-13/h8-10H,3-7,11H2,1-2H3,(H2,19,21)(H,20,25)
InChIKeyIIAPGRAKRLAGIZ-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.91
Rot. Bonds2

About 2-(6-amino-5-methyl-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide

2-(6-amino-5-methyl-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide (PubChem CID 164859817) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-(6-amino-5-methyl-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound Name2-(6-amino-5-methyl-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
PubChem CID164859817
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name2-(6-amino-5-methyl-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
SMILESCCNC(=O)N1CCC2(CCn3nc(-c4cnc(N)c(C)c4)cc32)C1
InChIInChI=1S/C18H24N6O/c1-3-20-17(25)23-6-4-18(11-23)5-7-24-15(18)9-14(22-24)13-8-12(2)16(19)21-10-13/h8-10H,3-7,11H2,1-2H3,(H2,19,21)(H,20,25)
InChIKeyIIAPGRAKRLAGIZ-UHFFFAOYSA-N
XLogP1.91
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-[(4R)-1'-(ethylcarbamoyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-2-yl]pyridine-3-carboxylic acid
CID 175779917
2-(5-acetyl-6-amino-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 164859438
(4S)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 164858927
2-(6-amino-5-phenylmethoxy-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 164859463
2-[6-amino-5-[4-(dimethylsulfamoyl)phenyl]-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 164858958
2-[6-amino-5-(pyridin-2-ylmethoxy)-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 164859442
(4R)-2-[6-amino-5-[(3-fluorophenyl)methoxy]-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 175779893
(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
2-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 164859794
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
N-ethyl-2-(6-fluoroquinolin-3-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
CID 175692242
N-ethyl-2-quinolin-3-ylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,4'-piperidine]-1'-carboxamide
CID 175692158

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-5-methyl-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of 2-(6-amino-5-methyl-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide (CID 164859817) is 2-(6-amino-5-methyl-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for 2-(6-amino-5-methyl-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for 2-(6-amino-5-methyl-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide is CCNC(=O)N1CCC2(CCn3nc(-c4cnc(N)c(C)c4)cc32)C1.
What is the InChIKey of 2-(6-amino-5-methyl-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is IIAPGRAKRLAGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-3-20-17(25)23-6-4-18(11-23)5-7-24-15(18)9-14(22-24)13-8-12(2)16(19)21-10-13/h8-10H,3-7,11H2,1-2H3,(H2,19,21)(H,20,25).
What are the key properties of 2-(6-amino-5-methyl-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide?
2-(6-amino-5-methyl-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-5-methyl-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 164859817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).