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

C25H26F3N7O — CID 164858659

IUPAC2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-pyridin-4-ylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
SMILESNc1ncc(-c2cc3n(n2)CCC32CCN(C(=O)NC3(c4ccncc4)CCC3)C2)cc1C(F)(F)F
InChIInChI=1S/C25H26F3N7O/c26-25(27,28)18-12-16(14-31-21(18)29)19-13-20-23(7-11-35(20)33-19)6-10-34(15-23)22(36)32-24(4-1-5-24)17-2-8-30-9-3-17/h2-3,8-9,12-14H,1,4-7,10-11,15H2,(H2,29,31)(H,32,36)
InChIKeyNVXRMKOLDNBKID-UHFFFAOYSA-N
MW497.53 g/mol
LogP4.08
Rot. Bonds3

About 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

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 (PubChem CID 164858659) has the molecular formula C25H26F3N7O and a molecular weight of 497.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-pyridin-4-ylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
PubChem CID164858659
Molecular FormulaC25H26F3N7O
Molecular Weight497.53 g/mol
Exact Mass497.22
IUPAC Name2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-pyridin-4-ylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
SMILESNc1ncc(-c2cc3n(n2)CCC32CCN(C(=O)NC3(c4ccncc4)CCC3)C2)cc1C(F)(F)F
InChIInChI=1S/C25H26F3N7O/c26-25(27,28)18-12-16(14-31-21(18)29)19-13-20-23(7-11-35(20)33-19)6-10-34(15-23)22(36)32-24(4-1-5-24)17-2-8-30-9-3-17/h2-3,8-9,12-14H,1,4-7,10-11,15H2,(H2,29,31)(H,32,36)
InChIKeyNVXRMKOLDNBKID-UHFFFAOYSA-N
XLogP4.08
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.53
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Nc1ncc(-c2cc3n(n2)CCC32CCN(C(=O)NC3(c4ccncc4)CCC3)C2)cc1C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is NVXRMKOLDNBKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N7O/c26-25(27,28)18-12-16(14-31-21(18)29)19-13-20-23(7-11-35(20)33-19)6-10-34(15-23)22(36)32-24(4-1-5-24)17-2-8-30-9-3-17/h2-3,8-9,12-14H,1,4-7,10-11,15H2,(H2,29,31)(H,32,36).
What are the key properties of 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?
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 has a molecular weight of 497.53 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164858659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).