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

C20H18F2N6O3 — CID 174145278

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

[4-(difluoromethyl)-2-(1-hydroxyethyl)-1,3-oxazol-5-yl]-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 174145278) has the molecular formula C20H18F2N6O3 and a molecular weight of 428.40 g/mol. Its IUPAC name is [4-(difluoromethyl)-2-(1-hydroxyethyl)-1,3-oxazol-5-yl]-[(4S)-4-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-(1-hydroxyethyl)-1,3-oxazol-5-yl]-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
• PubChem CID: 174145278
• Molecular Formula: C20H18F2N6O3
• Molecular Weight: 428.40 g/mol
• Exact Mass: 428.14
• IUPAC Name: [4-(difluoromethyl)-2-(1-hydroxyethyl)-1,3-oxazol-5-yl]-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
• SMILES: CC(O)c1nc(C(F)F)c(C(=O)N2CCc3[nH]cnc3[C@H]2c2cc3ccccn3n2)o1
• InChI: InChI=1S/C20H18F2N6O3/c1-10(29)19-25-15(18(21)22)17(31-19)20(30)27-7-5-12-14(24-9-23-12)16(27)13-8-11-4-2-3-6-28(11)26-13/h2-4,6,8-10,16,18,29H,5,7H2,1H3,(H,23,24)/t10?,16-/m1/s1
• InChIKey: QAOACUOOUGZGKP-YRQZNCJOSA-N
• XLogP: 2.82
• TPSA: 112.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.40
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-2-(1-hydroxyethyl)-1,3-oxazol-5-yl]-[(4S)-4-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-(1-hydroxyethyl)-1,3-oxazol-5-yl]-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 174145278) is [4-(difluoromethyl)-2-(1-hydroxyethyl)-1,3-oxazol-5-yl]-[(4S)-4-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-(1-hydroxyethyl)-1,3-oxazol-5-yl]-[(4S)-4-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-(1-hydroxyethyl)-1,3-oxazol-5-yl]-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is CC(O)c1nc(C(F)F)c(C(=O)N2CCc3[nH]cnc3[C@H]2c2cc3ccccn3n2)o1.

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

The InChIKey is QAOACUOOUGZGKP-YRQZNCJOSA-N. The full InChI is InChI=1S/C20H18F2N6O3/c1-10(29)19-25-15(18(21)22)17(31-19)20(30)27-7-5-12-14(24-9-23-12)16(27)13-8-11-4-2-3-6-28(11)26-13/h2-4,6,8-10,16,18,29H,5,7H2,1H3,(H,23,24)/t10?,16-/m1/s1.

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

[4-(difluoromethyl)-2-(1-hydroxyethyl)-1,3-oxazol-5-yl]-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 428.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(difluoromethyl)-2-(1-hydroxyethyl)-1,3-oxazol-5-yl]-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 174145278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).