2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-6-[[(1-hydroxycyclobutyl)methylamino]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

C29H26F4N6O2 — CID 171530022

IUPAC2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-6-[[(1-hydroxycyclobutyl)methylamino]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESCn1cnnc1-c1cc(F)ccc1-c1cccc(-n2cc3c(C(F)(F)F)cc(CNCC4(O)CCC4)cn3c2=O)c1
InChIInChI=1S/C29H26F4N6O2/c1-37-17-35-36-26(37)23-12-20(30)6-7-22(23)19-4-2-5-21(11-19)38-15-25-24(29(31,32)33)10-18(14-39(25)27(38)40)13-34-16-28(41)8-3-9-28/h2,4-7,10-12,14-15,17,34,41H,3,8-9,13,16H2,1H3
InChIKeyKWMZULFANUOWMO-UHFFFAOYSA-N
MW566.56 g/mol
LogP4.72
Rot. Bonds7

About 2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-6-[[(1-hydroxycyclobutyl)methylamino]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-6-[[(1-hydroxycyclobutyl)methylamino]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 171530022) has the molecular formula C29H26F4N6O2 and a molecular weight of 566.56 g/mol. Its IUPAC name is 2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-6-[[(1-hydroxycyclobutyl)methylamino]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

Compound Name2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-6-[[(1-hydroxycyclobutyl)methylamino]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
PubChem CID171530022
Molecular FormulaC29H26F4N6O2
Molecular Weight566.56 g/mol
Exact Mass566.21
IUPAC Name2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-6-[[(1-hydroxycyclobutyl)methylamino]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESCn1cnnc1-c1cc(F)ccc1-c1cccc(-n2cc3c(C(F)(F)F)cc(CNCC4(O)CCC4)cn3c2=O)c1
InChIInChI=1S/C29H26F4N6O2/c1-37-17-35-36-26(37)23-12-20(30)6-7-22(23)19-4-2-5-21(11-19)38-15-25-24(29(31,32)33)10-18(14-39(25)27(38)40)13-34-16-28(41)8-3-9-28/h2,4-7,10-12,14-15,17,34,41H,3,8-9,13,16H2,1H3
InChIKeyKWMZULFANUOWMO-UHFFFAOYSA-N
XLogP4.72
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.56
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-6-[[(1-hydroxycyclobutyl)methylamino]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-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 2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-6-[[(1-hydroxycyclobutyl)methylamino]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The IUPAC name of 2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-6-[[(1-hydroxycyclobutyl)methylamino]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 171530022) is 2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-6-[[(1-hydroxycyclobutyl)methylamino]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.
What is the SMILES notation for 2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-6-[[(1-hydroxycyclobutyl)methylamino]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The canonical SMILES for 2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-6-[[(1-hydroxycyclobutyl)methylamino]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is Cn1cnnc1-c1cc(F)ccc1-c1cccc(-n2cc3c(C(F)(F)F)cc(CNCC4(O)CCC4)cn3c2=O)c1.
What is the InChIKey of 2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-6-[[(1-hydroxycyclobutyl)methylamino]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The InChIKey is KWMZULFANUOWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F4N6O2/c1-37-17-35-36-26(37)23-12-20(30)6-7-22(23)19-4-2-5-21(11-19)38-15-25-24(29(31,32)33)10-18(14-39(25)27(38)40)13-34-16-28(41)8-3-9-28/h2,4-7,10-12,14-15,17,34,41H,3,8-9,13,16H2,1H3.
What are the key properties of 2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-6-[[(1-hydroxycyclobutyl)methylamino]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-6-[[(1-hydroxycyclobutyl)methylamino]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 566.56 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-6-[[(1-hydroxycyclobutyl)methylamino]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 171530022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).