(3R)-1'-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine

C25H22F4N6O — CID 168944329

IUPAC(3R)-1'-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine
SMILESCc1nc(N2CCC3(CC2)Oc2ncccc2[C@H]3N)c2ccnn2c1-c1cccc(F)c1C(F)(F)F
InChIInChI=1S/C25H22F4N6O/c1-14-20(15-4-2-6-17(26)19(15)25(27,28)29)35-18(7-11-32-35)22(33-14)34-12-8-24(9-13-34)21(30)16-5-3-10-31-23(16)36-24/h2-7,10-11,21H,8-9,12-13,30H2,1H3/t21-/m1/s1
InChIKeyFRSWXIQTKXYMHV-OAQYLSRUSA-N
MW498.48 g/mol
LogP4.69
Rot. Bonds2

About (3R)-1'-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine

(3R)-1'-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine (PubChem CID 168944329) has the molecular formula C25H22F4N6O and a molecular weight of 498.48 g/mol. Its IUPAC name is (3R)-1'-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine.

Molecular Properties

Compound Name(3R)-1'-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine
PubChem CID168944329
Molecular FormulaC25H22F4N6O
Molecular Weight498.48 g/mol
Exact Mass498.18
IUPAC Name(3R)-1'-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine
SMILESCc1nc(N2CCC3(CC2)Oc2ncccc2[C@H]3N)c2ccnn2c1-c1cccc(F)c1C(F)(F)F
InChIInChI=1S/C25H22F4N6O/c1-14-20(15-4-2-6-17(26)19(15)25(27,28)29)35-18(7-11-32-35)22(33-14)34-12-8-24(9-13-34)21(30)16-5-3-10-31-23(16)36-24/h2-7,10-11,21H,8-9,12-13,30H2,1H3/t21-/m1/s1
InChIKeyFRSWXIQTKXYMHV-OAQYLSRUSA-N
XLogP4.69
TPSA81.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.48
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-1'-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine 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

(5S)-1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;hydrochloride
CID 169080051
(5S)-1'-[7-(2-fluoro-4-methylphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 169450652
3-[4-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-methylpyrazolo[1,5-a]pyrazin-7-yl]-1-methylpyridin-2-one
CID 168944147
(3R)-1'-propan-2-ylspiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine
CID 155184138
(1S)-1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 168944025
2-(3-aminospiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-1'-yl)-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carbonitrile
CID 155089411
1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]
CID 168944224
(3S,4S)-8-[7-(2-chloro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 160926288
(5S)-1'-[6-methyl-7-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 168944288
(1S)-1'-[7-(3-chloro-2-methyl-4-pyridinyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride
CID 169080155
(5S)-1'-[7-(2,3-difluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 168943913
2-fluoro-3-(6-methyl-4-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazolo[1,5-a]pyrazin-7-yl)benzonitrile
CID 168944276

Frequently Asked Questions

What is the IUPAC name of (3R)-1'-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine?
The IUPAC name of (3R)-1'-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine (CID 168944329) is (3R)-1'-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine.
What is the SMILES notation for (3R)-1'-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine?
The canonical SMILES for (3R)-1'-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine is Cc1nc(N2CCC3(CC2)Oc2ncccc2[C@H]3N)c2ccnn2c1-c1cccc(F)c1C(F)(F)F.
What is the InChIKey of (3R)-1'-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine?
The InChIKey is FRSWXIQTKXYMHV-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H22F4N6O/c1-14-20(15-4-2-6-17(26)19(15)25(27,28)29)35-18(7-11-32-35)22(33-14)34-12-8-24(9-13-34)21(30)16-5-3-10-31-23(16)36-24/h2-7,10-11,21H,8-9,12-13,30H2,1H3/t21-/m1/s1.
What are the key properties of (3R)-1'-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine?
(3R)-1'-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine has a molecular weight of 498.48 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1'-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine is sourced from PubChem (CID 168944329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).