1H-pyrazol-4-ylmethanol;3-(1H-pyrazol-4-ylmethyl)-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

C35H25F6N7O7 — CID 160828287

IUPAC1H-pyrazol-4-ylmethanol;3-(1H-pyrazol-4-ylmethyl)-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
SMILESO=C1Cc2nc(-c3ccc(OC(F)(F)F)cc3)ccc2O1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1Cc1cn[nH]c1.OCc1cn[nH]c1
InChIInChI=1S/C17H11F3N4O3.C14H8F3NO3.C4H6N2O/c18-17(19,20)27-12-3-1-11(2-4-12)13-5-6-14-15(23-13)24(16(25)26-14)9-10-7-21-22-8-10;15-14(16,17)21-9-3-1-8(2-4-9)10-5-6-12-11(18-10)7-13(19)20-12;7-3-4-1-5-6-2-4/h1-8H,9H2,(H,21,22);1-6H,7H2;1-2,7H,3H2,(H,5,6)
InChIKeySGLVCYHQDNGVGS-UHFFFAOYSA-N
MW769.62 g/mol
LogP6.34
Rot. Bonds7

About 1H-pyrazol-4-ylmethanol;3-(1H-pyrazol-4-ylmethyl)-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

1H-pyrazol-4-ylmethanol;3-(1H-pyrazol-4-ylmethyl)-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 160828287) has the molecular formula C35H25F6N7O7 and a molecular weight of 769.62 g/mol. Its IUPAC name is 1H-pyrazol-4-ylmethanol;3-(1H-pyrazol-4-ylmethyl)-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 Name1H-pyrazol-4-ylmethanol;3-(1H-pyrazol-4-ylmethyl)-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 CID160828287
Molecular FormulaC35H25F6N7O7
Molecular Weight769.62 g/mol
Exact Mass769.17
IUPAC Name1H-pyrazol-4-ylmethanol;3-(1H-pyrazol-4-ylmethyl)-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
SMILESO=C1Cc2nc(-c3ccc(OC(F)(F)F)cc3)ccc2O1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1Cc1cn[nH]c1.OCc1cn[nH]c1
InChIInChI=1S/C17H11F3N4O3.C14H8F3NO3.C4H6N2O/c18-17(19,20)27-12-3-1-11(2-4-12)13-5-6-14-15(23-13)24(16(25)26-14)9-10-7-21-22-8-10;15-14(16,17)21-9-3-1-8(2-4-9)10-5-6-12-11(18-10)7-13(19)20-12;7-3-4-1-5-6-2-4/h1-8H,9H2,(H,21,22);1-6H,7H2;1-2,7H,3H2,(H,5,6)
InChIKeySGLVCYHQDNGVGS-UHFFFAOYSA-N
XLogP6.34
TPSA183.27 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500769.62
LogP ≤ 56.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 1H-pyrazol-4-ylmethanol;3-(1H-pyrazol-4-ylmethyl)-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 with MolForge

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Related Compounds

3-(1H-pyrazol-4-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 142412652
3-(methylsulfinylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 154613015
3-(methylsulfonylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 142412875
3-[[(1R)-2,2-difluorocyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 142412891
3-[(2,2-difluorocyclopropyl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 142412739
3-[(2S)-2-pyrimidin-2-ylpropyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 142412837
3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 154613023
5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 142412680
5-[4-(difluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(pyrazin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(2-pyrimidin-4-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(2-pyrimidin-4-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 158366975
[2,6-bis[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 134618312
5-methyl-3-[[3-[5-(2-morpholin-4-yl-2-oxoethoxy)pyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 58486049
2-methylsulfanyl-6-[[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945498

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-4-ylmethanol;3-(1H-pyrazol-4-ylmethyl)-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 1H-pyrazol-4-ylmethanol;3-(1H-pyrazol-4-ylmethyl)-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 160828287) is 1H-pyrazol-4-ylmethanol;3-(1H-pyrazol-4-ylmethyl)-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 1H-pyrazol-4-ylmethanol;3-(1H-pyrazol-4-ylmethyl)-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 1H-pyrazol-4-ylmethanol;3-(1H-pyrazol-4-ylmethyl)-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 O=C1Cc2nc(-c3ccc(OC(F)(F)F)cc3)ccc2O1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1Cc1cn[nH]c1.OCc1cn[nH]c1.
What is the InChIKey of 1H-pyrazol-4-ylmethanol;3-(1H-pyrazol-4-ylmethyl)-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 SGLVCYHQDNGVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O3.C14H8F3NO3.C4H6N2O/c18-17(19,20)27-12-3-1-11(2-4-12)13-5-6-14-15(23-13)24(16(25)26-14)9-10-7-21-22-8-10;15-14(16,17)21-9-3-1-8(2-4-9)10-5-6-12-11(18-10)7-13(19)20-12;7-3-4-1-5-6-2-4/h1-8H,9H2,(H,21,22);1-6H,7H2;1-2,7H,3H2,(H,5,6).
What are the key properties of 1H-pyrazol-4-ylmethanol;3-(1H-pyrazol-4-ylmethyl)-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?
1H-pyrazol-4-ylmethanol;3-(1H-pyrazol-4-ylmethyl)-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 769.62 g/mol, XLogP of 6.34, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-4-ylmethanol;3-(1H-pyrazol-4-ylmethyl)-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 160828287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).