8-fluoro-2-methyl-5-pyrazolo[1,5-a]pyridin-4-yl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one

C18H10F4N6O — CID 172525346

IUPAC8-fluoro-2-methyl-5-pyrazolo[1,5-a]pyridin-4-yl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
SMILESCn1cc2c(n1)c(=O)n(-c1cccn3nccc13)c1nc(C(F)(F)F)c(F)cc21
InChIInChI=1S/C18H10F4N6O/c1-26-8-10-9-7-11(19)15(18(20,21)22)24-16(9)28(17(29)14(10)25-26)13-3-2-6-27-12(13)4-5-23-27/h2-8H,1H3
InChIKeyOVQSUFPHGLRTQP-UHFFFAOYSA-N
MW402.31 g/mol
LogP3.08
Rot. Bonds1

About 8-fluoro-2-methyl-5-pyrazolo[1,5-a]pyridin-4-yl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one

8-fluoro-2-methyl-5-pyrazolo[1,5-a]pyridin-4-yl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one (PubChem CID 172525346) has the molecular formula C18H10F4N6O and a molecular weight of 402.31 g/mol. Its IUPAC name is 8-fluoro-2-methyl-5-pyrazolo[1,5-a]pyridin-4-yl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name8-fluoro-2-methyl-5-pyrazolo[1,5-a]pyridin-4-yl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
PubChem CID172525346
Molecular FormulaC18H10F4N6O
Molecular Weight402.31 g/mol
Exact Mass402.09
IUPAC Name8-fluoro-2-methyl-5-pyrazolo[1,5-a]pyridin-4-yl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
SMILESCn1cc2c(n1)c(=O)n(-c1cccn3nccc13)c1nc(C(F)(F)F)c(F)cc21
InChIInChI=1S/C18H10F4N6O/c1-26-8-10-9-7-11(19)15(18(20,21)22)24-16(9)28(17(29)14(10)25-26)13-3-2-6-27-12(13)4-5-23-27/h2-8H,1H3
InChIKeyOVQSUFPHGLRTQP-UHFFFAOYSA-N
XLogP3.08
TPSA70.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.31
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methyl-5-pyrazolo[1,5-a]pyridin-4-yl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one?
The IUPAC name of 8-fluoro-2-methyl-5-pyrazolo[1,5-a]pyridin-4-yl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one (CID 172525346) is 8-fluoro-2-methyl-5-pyrazolo[1,5-a]pyridin-4-yl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 8-fluoro-2-methyl-5-pyrazolo[1,5-a]pyridin-4-yl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one?
The canonical SMILES for 8-fluoro-2-methyl-5-pyrazolo[1,5-a]pyridin-4-yl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one is Cn1cc2c(n1)c(=O)n(-c1cccn3nccc13)c1nc(C(F)(F)F)c(F)cc21.
What is the InChIKey of 8-fluoro-2-methyl-5-pyrazolo[1,5-a]pyridin-4-yl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one?
The InChIKey is OVQSUFPHGLRTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F4N6O/c1-26-8-10-9-7-11(19)15(18(20,21)22)24-16(9)28(17(29)14(10)25-26)13-3-2-6-27-12(13)4-5-23-27/h2-8H,1H3.
What are the key properties of 8-fluoro-2-methyl-5-pyrazolo[1,5-a]pyridin-4-yl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one?
8-fluoro-2-methyl-5-pyrazolo[1,5-a]pyridin-4-yl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one has a molecular weight of 402.31 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methyl-5-pyrazolo[1,5-a]pyridin-4-yl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 172525346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).