2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-pyridin-3-ylethyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide

C23H24F3N7O2 — CID 170429458

IUPAC2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-pyridin-3-ylethyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide
SMILESCC(NC(=O)N1CCC2(C1)OCCn1nc(-c3cnc(N)c(C(F)(F)F)c3)cc12)c1cccnc1
InChIInChI=1S/C23H24F3N7O2/c1-14(15-3-2-5-28-11-15)30-21(34)32-6-4-22(13-32)19-10-18(31-33(19)7-8-35-22)16-9-17(23(24,25)26)20(27)29-12-16/h2-3,5,9-12,14H,4,6-8,13H2,1H3,(H2,27,29)(H,30,34)
InChIKeyBYFBHSVPWRTRIQ-UHFFFAOYSA-N
MW487.49 g/mol
LogP3.34
Rot. Bonds3

About 2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-pyridin-3-ylethyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide

2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-pyridin-3-ylethyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide (PubChem CID 170429458) has the molecular formula C23H24F3N7O2 and a molecular weight of 487.49 g/mol. Its IUPAC name is 2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-pyridin-3-ylethyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound Name2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-pyridin-3-ylethyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide
PubChem CID170429458
Molecular FormulaC23H24F3N7O2
Molecular Weight487.49 g/mol
Exact Mass487.19
IUPAC Name2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-pyridin-3-ylethyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide
SMILESCC(NC(=O)N1CCC2(C1)OCCn1nc(-c3cnc(N)c(C(F)(F)F)c3)cc12)c1cccnc1
InChIInChI=1S/C23H24F3N7O2/c1-14(15-3-2-5-28-11-15)30-21(34)32-6-4-22(13-32)19-10-18(31-33(19)7-8-35-22)16-9-17(23(24,25)26)20(27)29-12-16/h2-3,5,9-12,14H,4,6-8,13H2,1H3,(H2,27,29)(H,30,34)
InChIKeyBYFBHSVPWRTRIQ-UHFFFAOYSA-N
XLogP3.34
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.49
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-pyridin-3-ylethyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-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

Related Compounds

2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-[(1R)-1-(4-cyanophenyl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide
CID 164859853
2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-[(1S)-1-pyridin-3-ylethyl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-azetidine]-1'-carboxamide
CID 164859930
2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-[(1R)-1-(2-cyanophenyl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide
CID 164858977
2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(2-pyridin-4-ylpropan-2-yl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide
CID 164858884
2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(2-pyridin-2-ylpropan-2-yl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide
CID 164859348
2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[(1R)-1-phenylpropyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide
CID 164858862
2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[1-(4-cyano-2-pyridinyl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide
CID 170429365
2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(2,2,2-trifluoro-1-phenylethyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 164859116
2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[1-(2,4,5-trimethylpyrazol-3-yl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide
CID 164859125
5-[1'-[1-(6-methoxy-2-pyridinyl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 170428782
5-[1'-[1-(1H-imidazol-2-yl)propyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-2-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 170428760
(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

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-pyridin-3-ylethyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of 2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-pyridin-3-ylethyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide (CID 170429458) is 2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-pyridin-3-ylethyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for 2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-pyridin-3-ylethyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for 2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-pyridin-3-ylethyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide is CC(NC(=O)N1CCC2(C1)OCCn1nc(-c3cnc(N)c(C(F)(F)F)c3)cc12)c1cccnc1.
What is the InChIKey of 2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-pyridin-3-ylethyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is BYFBHSVPWRTRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N7O2/c1-14(15-3-2-5-28-11-15)30-21(34)32-6-4-22(13-32)19-10-18(31-33(19)7-8-35-22)16-9-17(23(24,25)26)20(27)29-12-16/h2-3,5,9-12,14H,4,6-8,13H2,1H3,(H2,27,29)(H,30,34).
What are the key properties of 2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-pyridin-3-ylethyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide?
2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-pyridin-3-ylethyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 487.49 g/mol, XLogP of 3.34, 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-(trifluoromethyl)-3-pyridinyl]-N-(1-pyridin-3-ylethyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 170429458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).