N-[(6R)-4-fluoro-6-methylcyclohexa-1,3-dien-1-yl]-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide

C25H18F4N4O2 — CID 142534434

IUPACN-[(6R)-4-fluoro-6-methylcyclohexa-1,3-dien-1-yl]-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
SMILESC[C@@H]1CC(F)=CC=C1NC(=O)c1cc(-c2cccn3c(-c4ncco4)ncc23)ccc1C(F)(F)F
InChIInChI=1S/C25H18F4N4O2/c1-14-11-16(26)5-7-20(14)32-23(34)18-12-15(4-6-19(18)25(27,28)29)17-3-2-9-33-21(17)13-31-22(33)24-30-8-10-35-24/h2-10,12-14H,11H2,1H3,(H,32,34)/t14-/m1/s1
InChIKeyXCWLRKGJZUGHAO-CQSZACIVSA-N
MW482.44 g/mol
LogP6.18
Rot. Bonds4

About N-[(6R)-4-fluoro-6-methylcyclohexa-1,3-dien-1-yl]-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide

N-[(6R)-4-fluoro-6-methylcyclohexa-1,3-dien-1-yl]-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide (PubChem CID 142534434) has the molecular formula C25H18F4N4O2 and a molecular weight of 482.44 g/mol. Its IUPAC name is N-[(6R)-4-fluoro-6-methylcyclohexa-1,3-dien-1-yl]-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(6R)-4-fluoro-6-methylcyclohexa-1,3-dien-1-yl]-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
PubChem CID142534434
Molecular FormulaC25H18F4N4O2
Molecular Weight482.44 g/mol
Exact Mass482.14
IUPAC NameN-[(6R)-4-fluoro-6-methylcyclohexa-1,3-dien-1-yl]-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
SMILESC[C@@H]1CC(F)=CC=C1NC(=O)c1cc(-c2cccn3c(-c4ncco4)ncc23)ccc1C(F)(F)F
InChIInChI=1S/C25H18F4N4O2/c1-14-11-16(26)5-7-20(14)32-23(34)18-12-15(4-6-19(18)25(27,28)29)17-3-2-9-33-21(17)13-31-22(33)24-30-8-10-35-24/h2-10,12-14H,11H2,1H3,(H,32,34)/t14-/m1/s1
InChIKeyXCWLRKGJZUGHAO-CQSZACIVSA-N
XLogP6.18
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.44
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 71222804
US11208388, Example 247
CID 134264531
US11208388, Example 248
CID 134265386
4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-5-ethoxyimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 135337751
(R)-4-(3-(1-(but-2-ynoyl)pyrrolidin-3-yl)-5-ethoxyimidazo[1,5-a]pyrazin-1-yl)-3-fluoro-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide
CID 135337841
(R)-4-(3-(1-acryloylpyrrolidin-3-yl)-5-ethoxyimidazo[1,5-a]pyrazin-1-yl)-3-fluoro-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide
CID 135338008
(S)-4-(3-(1-acryloylpyrrolidin-2-yl)-5-ethoxyimidazo[1,5-a]pyrazin-1-yl)-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide
CID 135338094
4-[3-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-5-ethoxyimidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 135338497
US10738057, Example 71
CID 155884313
N-[6-[4-(morpholine-4-carbonyl)phenyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide
CID 49792543
[2-Benzyl-4-[[1-[(2-methyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone
CID 9917426
[2-Benzyl-4-[4-[[1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone
CID 18687513

Frequently Asked Questions

What is the IUPAC name of N-[(6R)-4-fluoro-6-methylcyclohexa-1,3-dien-1-yl]-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(6R)-4-fluoro-6-methylcyclohexa-1,3-dien-1-yl]-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide (CID 142534434) is N-[(6R)-4-fluoro-6-methylcyclohexa-1,3-dien-1-yl]-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(6R)-4-fluoro-6-methylcyclohexa-1,3-dien-1-yl]-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(6R)-4-fluoro-6-methylcyclohexa-1,3-dien-1-yl]-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide is C[C@@H]1CC(F)=CC=C1NC(=O)c1cc(-c2cccn3c(-c4ncco4)ncc23)ccc1C(F)(F)F.
What is the InChIKey of N-[(6R)-4-fluoro-6-methylcyclohexa-1,3-dien-1-yl]-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is XCWLRKGJZUGHAO-CQSZACIVSA-N. The full InChI is InChI=1S/C25H18F4N4O2/c1-14-11-16(26)5-7-20(14)32-23(34)18-12-15(4-6-19(18)25(27,28)29)17-3-2-9-33-21(17)13-31-22(33)24-30-8-10-35-24/h2-10,12-14H,11H2,1H3,(H,32,34)/t14-/m1/s1.
What are the key properties of N-[(6R)-4-fluoro-6-methylcyclohexa-1,3-dien-1-yl]-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide?
N-[(6R)-4-fluoro-6-methylcyclohexa-1,3-dien-1-yl]-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 482.44 g/mol, XLogP of 6.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6R)-4-fluoro-6-methylcyclohexa-1,3-dien-1-yl]-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 142534434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).