2-fluoro-N-[1-(2-hydroxypropan-2-yl)-6-phenylimidazo[1,5-a]pyridin-5-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide

C29H22F4N4O2 — CID 140861898

IUPAC2-fluoro-N-[1-(2-hydroxypropan-2-yl)-6-phenylimidazo[1,5-a]pyridin-5-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide
SMILESCC(C)(O)c1ncn2c(NC(=O)c3cc(-c4ccccn4)c(C(F)(F)F)cc3F)c(-c3ccccc3)ccc12
InChIInChI=1S/C29H22F4N4O2/c1-28(2,39)25-24-12-11-18(17-8-4-3-5-9-17)26(37(24)16-35-25)36-27(38)20-14-19(23-10-6-7-13-34-23)21(15-22(20)30)29(31,32)33/h3-16,39H,1-2H3,(H,36,38)
InChIKeyCGEXSVDSGYXGFZ-UHFFFAOYSA-N
MW534.51 g/mol
LogP6.70
Rot. Bonds5

About 2-fluoro-N-[1-(2-hydroxypropan-2-yl)-6-phenylimidazo[1,5-a]pyridin-5-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide

2-fluoro-N-[1-(2-hydroxypropan-2-yl)-6-phenylimidazo[1,5-a]pyridin-5-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide (PubChem CID 140861898) has the molecular formula C29H22F4N4O2 and a molecular weight of 534.51 g/mol. Its IUPAC name is 2-fluoro-N-[1-(2-hydroxypropan-2-yl)-6-phenylimidazo[1,5-a]pyridin-5-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-(2-hydroxypropan-2-yl)-6-phenylimidazo[1,5-a]pyridin-5-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide
PubChem CID140861898
Molecular FormulaC29H22F4N4O2
Molecular Weight534.51 g/mol
Exact Mass534.17
IUPAC Name2-fluoro-N-[1-(2-hydroxypropan-2-yl)-6-phenylimidazo[1,5-a]pyridin-5-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide
SMILESCC(C)(O)c1ncn2c(NC(=O)c3cc(-c4ccccn4)c(C(F)(F)F)cc3F)c(-c3ccccc3)ccc12
InChIInChI=1S/C29H22F4N4O2/c1-28(2,39)25-24-12-11-18(17-8-4-3-5-9-17)26(37(24)16-35-25)36-27(38)20-14-19(23-10-6-7-13-34-23)21(15-22(20)30)29(31,32)33/h3-16,39H,1-2H3,(H,36,38)
InChIKeyCGEXSVDSGYXGFZ-UHFFFAOYSA-N
XLogP6.70
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.51
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(2-hydroxypropan-2-yl)-6-phenylimidazo[1,5-a]pyridin-5-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-[1-(2-hydroxypropan-2-yl)-6-phenylimidazo[1,5-a]pyridin-5-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide (CID 140861898) is 2-fluoro-N-[1-(2-hydroxypropan-2-yl)-6-phenylimidazo[1,5-a]pyridin-5-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[1-(2-hydroxypropan-2-yl)-6-phenylimidazo[1,5-a]pyridin-5-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[1-(2-hydroxypropan-2-yl)-6-phenylimidazo[1,5-a]pyridin-5-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide is CC(C)(O)c1ncn2c(NC(=O)c3cc(-c4ccccn4)c(C(F)(F)F)cc3F)c(-c3ccccc3)ccc12.
What is the InChIKey of 2-fluoro-N-[1-(2-hydroxypropan-2-yl)-6-phenylimidazo[1,5-a]pyridin-5-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide?
The InChIKey is CGEXSVDSGYXGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F4N4O2/c1-28(2,39)25-24-12-11-18(17-8-4-3-5-9-17)26(37(24)16-35-25)36-27(38)20-14-19(23-10-6-7-13-34-23)21(15-22(20)30)29(31,32)33/h3-16,39H,1-2H3,(H,36,38).
What are the key properties of 2-fluoro-N-[1-(2-hydroxypropan-2-yl)-6-phenylimidazo[1,5-a]pyridin-5-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide?
2-fluoro-N-[1-(2-hydroxypropan-2-yl)-6-phenylimidazo[1,5-a]pyridin-5-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide has a molecular weight of 534.51 g/mol, XLogP of 6.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(2-hydroxypropan-2-yl)-6-phenylimidazo[1,5-a]pyridin-5-yl]-5-pyridin-2-yl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 140861898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).