(5-methyl-1H-pyrazol-4-yl)methanol;3-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one

C37H29F6N7O7 — CID 159170861

About (5-methyl-1H-pyrazol-4-yl)methanol;3-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one

(5-methyl-1H-pyrazol-4-yl)methanol;3-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one (PubChem CID 159170861) has the molecular formula C37H29F6N7O7 and a molecular weight of 797.67 g/mol. Its IUPAC name is (5-methyl-1H-pyrazol-4-yl)methanol;3-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one.

Molecular Properties

• Compound Name: (5-methyl-1H-pyrazol-4-yl)methanol;3-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one
• PubChem CID: 159170861
• Molecular Formula: C37H29F6N7O7
• Molecular Weight: 797.67 g/mol
• Exact Mass: 797.20
• IUPAC Name: (5-methyl-1H-pyrazol-4-yl)methanol;3-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one
• SMILES: Cc1[nH]ncc1CO.Cc1[nH]ncc1Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.O=C1Cc2nc(-c3ccc(OC(F)(F)F)cc3)ccc2O1
• InChI: InChI=1S/C18H13F3N4O3.C14H8F3NO3.C5H8N2O/c1-10-12(8-22-24-10)9-25-16-15(27-17(25)26)7-6-14(23-16)11-2-4-13(5-3-11)28-18(19,20)21;15-14(16,17)21-9-3-1-8(2-4-9)10-5-6-12-11(18-10)7-13(19)20-12;1-4-5(3-8)2-6-7-4/h2-8H,9H2,1H3,(H,22,24);1-6H,7H2;2,8H,3H2,1H3,(H,6,7)
• InChIKey: KLRAFDPGVACBNP-UHFFFAOYSA-N
• XLogP: 6.95
• TPSA: 183.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	797.67
LogP ≤ 5	6.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-pyrazol-4-yl)methanol;3-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one?

The IUPAC name of (5-methyl-1H-pyrazol-4-yl)methanol;3-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one (CID 159170861) is (5-methyl-1H-pyrazol-4-yl)methanol;3-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one.

What is the SMILES notation for (5-methyl-1H-pyrazol-4-yl)methanol;3-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one?

The canonical SMILES for (5-methyl-1H-pyrazol-4-yl)methanol;3-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one is Cc1[nH]ncc1CO.Cc1[nH]ncc1Cn1c(=O)oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21.O=C1Cc2nc(-c3ccc(OC(F)(F)F)cc3)ccc2O1.

What is the InChIKey of (5-methyl-1H-pyrazol-4-yl)methanol;3-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one?

The InChIKey is KLRAFDPGVACBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O3.C14H8F3NO3.C5H8N2O/c1-10-12(8-22-24-10)9-25-16-15(27-17(25)26)7-6-14(23-16)11-2-4-13(5-3-11)28-18(19,20)21;15-14(16,17)21-9-3-1-8(2-4-9)10-5-6-12-11(18-10)7-13(19)20-12;1-4-5(3-8)2-6-7-4/h2-8H,9H2,1H3,(H,22,24);1-6H,7H2;2,8H,3H2,1H3,(H,6,7).

What are the key properties of (5-methyl-1H-pyrazol-4-yl)methanol;3-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one?

(5-methyl-1H-pyrazol-4-yl)methanol;3-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one has a molecular weight of 797.67 g/mol, XLogP of 6.95, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methyl-1H-pyrazol-4-yl)methanol;3-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one is sourced from PubChem (CID 159170861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).