1-[(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl]-2-methyl-2-(6-methyl-3-pyridinyl)propan-1-one

C25H27F3N6O — CID 175779857

IUPAC1-[(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl]-2-methyl-2-(6-methyl-3-pyridinyl)propan-1-one
SMILESCc1ccc(C(C)(C)C(=O)N2CC[C@@]3(CCn4nc(-c5cnc(N)c(C(F)(F)F)c5)cc43)C2)cn1
InChIInChI=1S/C25H27F3N6O/c1-15-4-5-17(13-30-15)23(2,3)22(35)33-8-6-24(14-33)7-9-34-20(24)11-19(32-34)16-10-18(25(26,27)28)21(29)31-12-16/h4-5,10-13H,6-9,14H2,1-3H3,(H2,29,31)/t24-/m1/s1
InChIKeyXMINSYWCVIBEOX-XMMPIXPASA-N
MW484.53 g/mol
LogP4.10
Rot. Bonds3

About 1-[(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl]-2-methyl-2-(6-methyl-3-pyridinyl)propan-1-one

1-[(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl]-2-methyl-2-(6-methyl-3-pyridinyl)propan-1-one (PubChem CID 175779857) has the molecular formula C25H27F3N6O and a molecular weight of 484.53 g/mol. Its IUPAC name is 1-[(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl]-2-methyl-2-(6-methyl-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name1-[(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl]-2-methyl-2-(6-methyl-3-pyridinyl)propan-1-one
PubChem CID175779857
Molecular FormulaC25H27F3N6O
Molecular Weight484.53 g/mol
Exact Mass484.22
IUPAC Name1-[(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl]-2-methyl-2-(6-methyl-3-pyridinyl)propan-1-one
SMILESCc1ccc(C(C)(C)C(=O)N2CC[C@@]3(CCn4nc(-c5cnc(N)c(C(F)(F)F)c5)cc43)C2)cn1
InChIInChI=1S/C25H27F3N6O/c1-15-4-5-17(13-30-15)23(2,3)22(35)33-8-6-24(14-33)7-9-34-20(24)11-19(32-34)16-10-18(25(26,27)28)21(29)31-12-16/h4-5,10-13H,6-9,14H2,1-3H3,(H2,29,31)/t24-/m1/s1
InChIKeyXMINSYWCVIBEOX-XMMPIXPASA-N
XLogP4.10
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl]-2-methyl-2-(6-methyl-3-pyridinyl)propan-1-one 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 1-[(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl]-2-methyl-2-(6-methyl-3-pyridinyl)propan-1-one?
The IUPAC name of 1-[(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl]-2-methyl-2-(6-methyl-3-pyridinyl)propan-1-one (CID 175779857) is 1-[(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl]-2-methyl-2-(6-methyl-3-pyridinyl)propan-1-one.
What is the SMILES notation for 1-[(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl]-2-methyl-2-(6-methyl-3-pyridinyl)propan-1-one?
The canonical SMILES for 1-[(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl]-2-methyl-2-(6-methyl-3-pyridinyl)propan-1-one is Cc1ccc(C(C)(C)C(=O)N2CC[C@@]3(CCn4nc(-c5cnc(N)c(C(F)(F)F)c5)cc43)C2)cn1.
What is the InChIKey of 1-[(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl]-2-methyl-2-(6-methyl-3-pyridinyl)propan-1-one?
The InChIKey is XMINSYWCVIBEOX-XMMPIXPASA-N. The full InChI is InChI=1S/C25H27F3N6O/c1-15-4-5-17(13-30-15)23(2,3)22(35)33-8-6-24(14-33)7-9-34-20(24)11-19(32-34)16-10-18(25(26,27)28)21(29)31-12-16/h4-5,10-13H,6-9,14H2,1-3H3,(H2,29,31)/t24-/m1/s1.
What are the key properties of 1-[(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl]-2-methyl-2-(6-methyl-3-pyridinyl)propan-1-one?
1-[(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl]-2-methyl-2-(6-methyl-3-pyridinyl)propan-1-one has a molecular weight of 484.53 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-yl]-2-methyl-2-(6-methyl-3-pyridinyl)propan-1-one is sourced from PubChem (CID 175779857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).