[4-(difluoromethyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4S)-4-[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C22H19F5N6O3 — CID 169165459

About [4-(difluoromethyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4S)-4-[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

[4-(difluoromethyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4S)-4-[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 169165459) has the molecular formula C22H19F5N6O3 and a molecular weight of 510.42 g/mol. Its IUPAC name is [4-(difluoromethyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4S)-4-[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

• Compound Name: [4-(difluoromethyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4S)-4-[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
• PubChem CID: 169165459
• Molecular Formula: C22H19F5N6O3
• Molecular Weight: 510.42 g/mol
• Exact Mass: 510.14
• IUPAC Name: [4-(difluoromethyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4S)-4-[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
• SMILES: CC(C)(O)c1nc(C(F)F)c(C(=O)N2CCc3[nH]cnc3[C@H]2c2cc3cc(C(F)(F)F)ccn3n2)o1
• InChI: InChI=1S/C22H19F5N6O3/c1-21(2,35)20-30-15(18(23)24)17(36-20)19(34)32-5-4-12-14(29-9-28-12)16(32)13-8-11-7-10(22(25,26)27)3-6-33(11)31-13/h3,6-9,16,18,35H,4-5H2,1-2H3,(H,28,29)/t16-/m1/s1
• InChIKey: FLYRBDDERRNGLR-MRXNPFEDSA-N
• XLogP: 4.02
• TPSA: 112.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.42
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4S)-4-[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?

The IUPAC name of [4-(difluoromethyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4S)-4-[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 169165459) is [4-(difluoromethyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4S)-4-[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

What is the SMILES notation for [4-(difluoromethyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4S)-4-[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?

The canonical SMILES for [4-(difluoromethyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4S)-4-[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is CC(C)(O)c1nc(C(F)F)c(C(=O)N2CCc3[nH]cnc3[C@H]2c2cc3cc(C(F)(F)F)ccn3n2)o1.

What is the InChIKey of [4-(difluoromethyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4S)-4-[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?

The InChIKey is FLYRBDDERRNGLR-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H19F5N6O3/c1-21(2,35)20-30-15(18(23)24)17(36-20)19(34)32-5-4-12-14(29-9-28-12)16(32)13-8-11-7-10(22(25,26)27)3-6-33(11)31-13/h3,6-9,16,18,35H,4-5H2,1-2H3,(H,28,29)/t16-/m1/s1.

What are the key properties of [4-(difluoromethyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4S)-4-[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?

[4-(difluoromethyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4S)-4-[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 510.42 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(difluoromethyl)-2-(2-hydroxypropan-2-yl)-1,3-oxazol-5-yl]-[(4S)-4-[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 169165459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).