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

C24H24N8O — CID 164858725

IUPAC2-(6-amino-5-cyano-3-pyridinyl)-N-(1-pyridin-2-ylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
SMILESN#Cc1cc(-c2cc3n(n2)CCC32CN(C(=O)NC3(c4ccccn4)CCC3)C2)cnc1N
InChIInChI=1S/C24H24N8O/c25-12-16-10-17(13-28-21(16)26)18-11-20-23(7-9-32(20)30-18)14-31(15-23)22(33)29-24(5-3-6-24)19-4-1-2-8-27-19/h1-2,4,8,10-11,13H,3,5-7,9,14-15H2,(H2,26,28)(H,29,33)
InChIKeyANCTVFJLQHESHV-UHFFFAOYSA-N
MW440.51 g/mol
LogP2.54
Rot. Bonds3

About 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

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 (PubChem CID 164858725) has the molecular formula C24H24N8O and a molecular weight of 440.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(6-amino-5-cyano-3-pyridinyl)-N-(1-pyridin-2-ylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
PubChem CID164858725
Molecular FormulaC24H24N8O
Molecular Weight440.51 g/mol
Exact Mass440.21
IUPAC Name2-(6-amino-5-cyano-3-pyridinyl)-N-(1-pyridin-2-ylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
SMILESN#Cc1cc(-c2cc3n(n2)CCC32CN(C(=O)NC3(c4ccccn4)CCC3)C2)cnc1N
InChIInChI=1S/C24H24N8O/c25-12-16-10-17(13-28-21(16)26)18-11-20-23(7-9-32(20)30-18)14-31(15-23)22(33)29-24(5-3-6-24)19-4-1-2-8-27-19/h1-2,4,8,10-11,13H,3,5-7,9,14-15H2,(H2,26,28)(H,29,33)
InChIKeyANCTVFJLQHESHV-UHFFFAOYSA-N
XLogP2.54
TPSA125.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(6-amino-5-cyano-3-pyridinyl)-N-(1-phenylcyclobutyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide
CID 164858707
2-(6-amino-5-cyano-3-pyridinyl)-N-[(1R)-1-(4-cyano-2-pyridinyl)ethyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
CID 164859567
2-(6-amino-5-cyano-3-pyridinyl)-N-[1-(2-cyano-4-pyridinyl)ethyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
CID 170429553
2-(6-amino-5-cyano-3-pyridinyl)-N-[(1S)-1-(3-chloro-4-pyridinyl)ethyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
CID 164858887
tert-butyl 2-(6-amino-5-cyano-3-pyridinyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxylate
CID 164859433
(4R)-2-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-N-(1-phenylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 175779897
2-(6-amino-5-cyano-3-pyridinyl)-N-[(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)methyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
CID 164859354
2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-pyridin-4-ylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 164858659
(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-[2-(2-cyanophenyl)propan-2-yl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 175779910
(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-methylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 175780152
2-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-N-(1-propan-2-ylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
CID 164859399
2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-(1-pyridin-2-ylethyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 170429531

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1cc(-c2cc3n(n2)CCC32CN(C(=O)NC3(c4ccccn4)CCC3)C2)cnc1N.
What is the InChIKey of 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?
The InChIKey is ANCTVFJLQHESHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O/c25-12-16-10-17(13-28-21(16)26)18-11-20-23(7-9-32(20)30-18)14-31(15-23)22(33)29-24(5-3-6-24)19-4-1-2-8-27-19/h1-2,4,8,10-11,13H,3,5-7,9,14-15H2,(H2,26,28)(H,29,33).
What are the key properties of 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?
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 has a molecular weight of 440.51 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164858725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).