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

C19H24N6O2 — CID 164859438

IUPAC2-(5-acetyl-6-amino-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
SMILESCCNC(=O)N1CCC2(CCn3nc(-c4cnc(N)c(C(C)=O)c4)cc32)C1
InChIInChI=1S/C19H24N6O2/c1-3-21-18(27)24-6-4-19(11-24)5-7-25-16(19)9-15(23-25)13-8-14(12(2)26)17(20)22-10-13/h8-10H,3-7,11H2,1-2H3,(H2,20,22)(H,21,27)
InChIKeyBWKSKFDLVIPCKK-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.81
Rot. Bonds3

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

2-(5-acetyl-6-amino-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide (PubChem CID 164859438) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-(5-acetyl-6-amino-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound Name2-(5-acetyl-6-amino-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
PubChem CID164859438
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name2-(5-acetyl-6-amino-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
SMILESCCNC(=O)N1CCC2(CCn3nc(-c4cnc(N)c(C(C)=O)c4)cc32)C1
InChIInChI=1S/C19H24N6O2/c1-3-21-18(27)24-6-4-19(11-24)5-7-25-16(19)9-15(23-25)13-8-14(12(2)26)17(20)22-10-13/h8-10H,3-7,11H2,1-2H3,(H2,20,22)(H,21,27)
InChIKeyBWKSKFDLVIPCKK-UHFFFAOYSA-N
XLogP1.81
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-(6-amino-5-methyl-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 164859817
(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-(1H-pyrazolo[3,4-b]pyridin-5-yl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 156726504
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

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-6-amino-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of 2-(5-acetyl-6-amino-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide (CID 164859438) is 2-(5-acetyl-6-amino-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for 2-(5-acetyl-6-amino-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for 2-(5-acetyl-6-amino-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(C)=O)c4)cc32)C1.
What is the InChIKey of 2-(5-acetyl-6-amino-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is BWKSKFDLVIPCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-3-21-18(27)24-6-4-19(11-24)5-7-25-16(19)9-15(23-25)13-8-14(12(2)26)17(20)22-10-13/h8-10H,3-7,11H2,1-2H3,(H2,20,22)(H,21,27).
What are the key properties of 2-(5-acetyl-6-amino-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide?
2-(5-acetyl-6-amino-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-6-amino-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 164859438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).