3-methyl-7-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one

C17H12F3N5O2 — CID 121380432

IUPAC3-methyl-7-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one
SMILESCn1cnc2c(-c3cn[nH]c3)cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c21
InChIInChI=1S/C17H12F3N5O2/c1-24-9-21-14-13(10-6-22-23-7-10)8-25(16(26)15(14)24)11-2-4-12(5-3-11)27-17(18,19)20/h2-9H,1H3,(H,22,23)
InChIKeyBTPBFZMWJIIGON-UHFFFAOYSA-N
MW375.31 g/mol
LogP3.01
Rot. Bonds3

About 3-methyl-7-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one

3-methyl-7-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one (PubChem CID 121380432) has the molecular formula C17H12F3N5O2 and a molecular weight of 375.31 g/mol. Its IUPAC name is 3-methyl-7-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name3-methyl-7-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one
PubChem CID121380432
Molecular FormulaC17H12F3N5O2
Molecular Weight375.31 g/mol
Exact Mass375.09
IUPAC Name3-methyl-7-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one
SMILESCn1cnc2c(-c3cn[nH]c3)cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c21
InChIInChI=1S/C17H12F3N5O2/c1-24-9-21-14-13(10-6-22-23-7-10)8-25(16(26)15(14)24)11-2-4-12(5-3-11)27-17(18,19)20/h2-9H,1H3,(H,22,23)
InChIKeyBTPBFZMWJIIGON-UHFFFAOYSA-N
XLogP3.01
TPSA77.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 3-methyl-7-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one (CID 121380432) is 3-methyl-7-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 3-methyl-7-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 3-methyl-7-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one is Cn1cnc2c(-c3cn[nH]c3)cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c21.
What is the InChIKey of 3-methyl-7-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one?
The InChIKey is BTPBFZMWJIIGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O2/c1-24-9-21-14-13(10-6-22-23-7-10)8-25(16(26)15(14)24)11-2-4-12(5-3-11)27-17(18,19)20/h2-9H,1H3,(H,22,23).
What are the key properties of 3-methyl-7-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one?
3-methyl-7-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one has a molecular weight of 375.31 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 121380432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).