[2-cyclopropyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-[(4R)-4-imidazo[1,2-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C21H17F3N6O2 — CID 169166833

About [2-cyclopropyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-[(4R)-4-imidazo[1,2-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

[2-cyclopropyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-[(4R)-4-imidazo[1,2-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 169166833) has the molecular formula C21H17F3N6O2 and a molecular weight of 442.40 g/mol. Its IUPAC name is [2-cyclopropyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-[(4R)-4-imidazo[1,2-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

• Compound Name: [2-cyclopropyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-[(4R)-4-imidazo[1,2-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
• PubChem CID: 169166833
• Molecular Formula: C21H17F3N6O2
• Molecular Weight: 442.40 g/mol
• Exact Mass: 442.14
• IUPAC Name: [2-cyclopropyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-[(4R)-4-imidazo[1,2-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
• SMILES: O=C(c1oc(C2CC2)nc1C(F)(F)F)N1CCc2[nH]cnc2[C@H]1c1cn2ccccc2n1
• InChI: InChI=1S/C21H17F3N6O2/c22-21(23,24)18-17(32-19(28-18)11-4-5-11)20(31)30-8-6-12-15(26-10-25-12)16(30)13-9-29-7-2-1-3-14(29)27-13/h1-3,7,9-11,16H,4-6,8H2,(H,25,26)/t16-/m1/s1
• InChIKey: RVQWNHZYLNHWSM-MRXNPFEDSA-N
• XLogP: 3.73
• TPSA: 92.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.40
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [2-cyclopropyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-[(4R)-4-imidazo[1,2-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 169166833) is [2-cyclopropyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-[(4R)-4-imidazo[1,2-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

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

The canonical SMILES for [2-cyclopropyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-[(4R)-4-imidazo[1,2-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is O=C(c1oc(C2CC2)nc1C(F)(F)F)N1CCc2[nH]cnc2[C@H]1c1cn2ccccc2n1.

What is the InChIKey of [2-cyclopropyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-[(4R)-4-imidazo[1,2-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?

The InChIKey is RVQWNHZYLNHWSM-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H17F3N6O2/c22-21(23,24)18-17(32-19(28-18)11-4-5-11)20(31)30-8-6-12-15(26-10-25-12)16(30)13-9-29-7-2-1-3-14(29)27-13/h1-3,7,9-11,16H,4-6,8H2,(H,25,26)/t16-/m1/s1.

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

[2-cyclopropyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-[(4R)-4-imidazo[1,2-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 442.40 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-cyclopropyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-[(4R)-4-imidazo[1,2-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 169166833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).