1-(3-fluorophenyl)-7-methyl-4-(oxan-4-ylamino)pyrazolo[5,4-b]pyridin-6-one

C18H19FN4O2 — CID 45273524

IUPAC1-(3-fluorophenyl)-7-methyl-4-(oxan-4-ylamino)pyrazolo[5,4-b]pyridin-6-one
SMILESCn1c(=O)cc(NC2CCOCC2)c2cnn(-c3cccc(F)c3)c21
InChIInChI=1S/C18H19FN4O2/c1-22-17(24)10-16(21-13-5-7-25-8-6-13)15-11-20-23(18(15)22)14-4-2-3-12(19)9-14/h2-4,9-11,13,21H,5-8H2,1H3
InChIKeyRVTIRLCVEXFDEF-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.45
Rot. Bonds3

About 1-(3-fluorophenyl)-7-methyl-4-(oxan-4-ylamino)pyrazolo[5,4-b]pyridin-6-one

1-(3-fluorophenyl)-7-methyl-4-(oxan-4-ylamino)pyrazolo[5,4-b]pyridin-6-one (PubChem CID 45273524) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-7-methyl-4-(oxan-4-ylamino)pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-7-methyl-4-(oxan-4-ylamino)pyrazolo[5,4-b]pyridin-6-one
PubChem CID45273524
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name1-(3-fluorophenyl)-7-methyl-4-(oxan-4-ylamino)pyrazolo[5,4-b]pyridin-6-one
SMILESCn1c(=O)cc(NC2CCOCC2)c2cnn(-c3cccc(F)c3)c21
InChIInChI=1S/C18H19FN4O2/c1-22-17(24)10-16(21-13-5-7-25-8-6-13)15-11-20-23(18(15)22)14-4-2-3-12(19)9-14/h2-4,9-11,13,21H,5-8H2,1H3
InChIKeyRVTIRLCVEXFDEF-UHFFFAOYSA-N
XLogP2.45
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-7-methyl-4-(oxan-4-ylamino)pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-(3-fluorophenyl)-7-methyl-4-(oxan-4-ylamino)pyrazolo[5,4-b]pyridin-6-one (CID 45273524) is 1-(3-fluorophenyl)-7-methyl-4-(oxan-4-ylamino)pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-(3-fluorophenyl)-7-methyl-4-(oxan-4-ylamino)pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-(3-fluorophenyl)-7-methyl-4-(oxan-4-ylamino)pyrazolo[5,4-b]pyridin-6-one is Cn1c(=O)cc(NC2CCOCC2)c2cnn(-c3cccc(F)c3)c21.
What is the InChIKey of 1-(3-fluorophenyl)-7-methyl-4-(oxan-4-ylamino)pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is RVTIRLCVEXFDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-22-17(24)10-16(21-13-5-7-25-8-6-13)15-11-20-23(18(15)22)14-4-2-3-12(19)9-14/h2-4,9-11,13,21H,5-8H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-7-methyl-4-(oxan-4-ylamino)pyrazolo[5,4-b]pyridin-6-one?
1-(3-fluorophenyl)-7-methyl-4-(oxan-4-ylamino)pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 342.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-7-methyl-4-(oxan-4-ylamino)pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 45273524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).