(4R)-2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[2-(3-chloro-4-pyridinyl)propan-2-yl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide

C24H25ClF3N7O2 — CID 175779991

IUPAC(4R)-2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[2-(3-chloro-4-pyridinyl)propan-2-yl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
SMILESCC(C)(NC(=O)N1CC[C@@]2(CCn3nc(-c4cnc(N)c(OC(F)(F)F)c4)cc32)C1)c1ccncc1Cl
InChIInChI=1S/C24H25ClF3N7O2/c1-22(2,15-3-6-30-12-16(15)25)32-21(36)34-7-4-23(13-34)5-8-35-19(23)10-17(33-35)14-9-18(20(29)31-11-14)37-24(26,27)28/h3,6,9-12H,4-5,7-8,13H2,1-2H3,(H2,29,31)(H,32,36)/t23-/m1/s1
InChIKeyCAENPIWBYGGNRU-HSZRJFAPSA-N
MW535.96 g/mol
LogP4.47
Rot. Bonds4

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

(4R)-2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[2-(3-chloro-4-pyridinyl)propan-2-yl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide (PubChem CID 175779991) has the molecular formula C24H25ClF3N7O2 and a molecular weight of 535.96 g/mol. Its IUPAC name is (4R)-2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[2-(3-chloro-4-pyridinyl)propan-2-yl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound Name(4R)-2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[2-(3-chloro-4-pyridinyl)propan-2-yl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
PubChem CID175779991
Molecular FormulaC24H25ClF3N7O2
Molecular Weight535.96 g/mol
Exact Mass535.17
IUPAC Name(4R)-2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[2-(3-chloro-4-pyridinyl)propan-2-yl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
SMILESCC(C)(NC(=O)N1CC[C@@]2(CCn3nc(-c4cnc(N)c(OC(F)(F)F)c4)cc32)C1)c1ccncc1Cl
InChIInChI=1S/C24H25ClF3N7O2/c1-22(2,15-3-6-30-12-16(15)25)32-21(36)34-7-4-23(13-34)5-8-35-19(23)10-17(33-35)14-9-18(20(29)31-11-14)37-24(26,27)28/h3,6,9-12H,4-5,7-8,13H2,1-2H3,(H2,29,31)(H,32,36)/t23-/m1/s1
InChIKeyCAENPIWBYGGNRU-HSZRJFAPSA-N
XLogP4.47
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.96
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (4R)-2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[2-(3-chloro-4-pyridinyl)propan-2-yl]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-(trifluoromethoxy)-3-pyridinyl]-N-[2-(3-chloro-4-pyridinyl)propan-2-yl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of (4R)-2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[2-(3-chloro-4-pyridinyl)propan-2-yl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide (CID 175779991) is (4R)-2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[2-(3-chloro-4-pyridinyl)propan-2-yl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for (4R)-2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[2-(3-chloro-4-pyridinyl)propan-2-yl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for (4R)-2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[2-(3-chloro-4-pyridinyl)propan-2-yl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide is CC(C)(NC(=O)N1CC[C@@]2(CCn3nc(-c4cnc(N)c(OC(F)(F)F)c4)cc32)C1)c1ccncc1Cl.
What is the InChIKey of (4R)-2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[2-(3-chloro-4-pyridinyl)propan-2-yl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is CAENPIWBYGGNRU-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H25ClF3N7O2/c1-22(2,15-3-6-30-12-16(15)25)32-21(36)34-7-4-23(13-34)5-8-35-19(23)10-17(33-35)14-9-18(20(29)31-11-14)37-24(26,27)28/h3,6,9-12H,4-5,7-8,13H2,1-2H3,(H2,29,31)(H,32,36)/t23-/m1/s1.
What are the key properties of (4R)-2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[2-(3-chloro-4-pyridinyl)propan-2-yl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide?
(4R)-2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[2-(3-chloro-4-pyridinyl)propan-2-yl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 535.96 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[2-(3-chloro-4-pyridinyl)propan-2-yl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 175779991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).