(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-methylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide

C21H25F3N6O — CID 175780152

IUPAC(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-methylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
SMILESCC1(NC(=O)N2CC[C@@]3(CCn4nc(-c5cnc(N)c(C(F)(F)F)c5)cc43)C2)CCC1
InChIInChI=1S/C21H25F3N6O/c1-19(3-2-4-19)27-18(31)29-7-5-20(12-29)6-8-30-16(20)10-15(28-30)13-9-14(21(22,23)24)17(25)26-11-13/h9-11H,2-8,12H2,1H3,(H2,25,26)(H,27,31)/t20-/m1/s1
InChIKeyCDJSQYVAEQHGKP-HXUWFJFHSA-N
MW434.47 g/mol
LogP3.55
Rot. Bonds2

About (4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-methylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide

(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-methylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide (PubChem CID 175780152) has the molecular formula C21H25F3N6O and a molecular weight of 434.47 g/mol. Its IUPAC name is (4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-methylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound Name(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-methylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
PubChem CID175780152
Molecular FormulaC21H25F3N6O
Molecular Weight434.47 g/mol
Exact Mass434.20
IUPAC Name(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-methylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
SMILESCC1(NC(=O)N2CC[C@@]3(CCn4nc(-c5cnc(N)c(C(F)(F)F)c5)cc43)C2)CCC1
InChIInChI=1S/C21H25F3N6O/c1-19(3-2-4-19)27-18(31)29-7-5-20(12-29)6-8-30-16(20)10-15(28-30)13-9-14(21(22,23)24)17(25)26-11-13/h9-11H,2-8,12H2,1H3,(H2,25,26)(H,27,31)/t20-/m1/s1
InChIKeyCDJSQYVAEQHGKP-HXUWFJFHSA-N
XLogP3.55
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-methylcyclobutyl)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 (4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-methylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of (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) is (4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-methylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for (4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-methylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for (4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-methylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide is CC1(NC(=O)N2CC[C@@]3(CCn4nc(-c5cnc(N)c(C(F)(F)F)c5)cc43)C2)CCC1.
What is the InChIKey of (4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-methylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is CDJSQYVAEQHGKP-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25F3N6O/c1-19(3-2-4-19)27-18(31)29-7-5-20(12-29)6-8-30-16(20)10-15(28-30)13-9-14(21(22,23)24)17(25)26-11-13/h9-11H,2-8,12H2,1H3,(H2,25,26)(H,27,31)/t20-/m1/s1.
What are the key properties of (4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-methylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide?
(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-methylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 434.47 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-methylcyclobutyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 175780152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).