1-(2,5-difluorophenyl)-7-methyl-4-[(4-methyl-3-pyridinyl)amino]pyrazolo[5,4-b]pyridin-6-one

C19H15F2N5O — CID 45272621

IUPAC1-(2,5-difluorophenyl)-7-methyl-4-[(4-methyl-3-pyridinyl)amino]pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccncc1Nc1cc(=O)n(C)c2c1cnn2-c1cc(F)ccc1F
InChIInChI=1S/C19H15F2N5O/c1-11-5-6-22-10-16(11)24-15-8-18(27)25(2)19-13(15)9-23-26(19)17-7-12(20)3-4-14(17)21/h3-10,24H,1-2H3
InChIKeySHTNULYTFRAXDF-UHFFFAOYSA-N
MW367.36 g/mol
LogP3.45
Rot. Bonds3

About 1-(2,5-difluorophenyl)-7-methyl-4-[(4-methyl-3-pyridinyl)amino]pyrazolo[5,4-b]pyridin-6-one

1-(2,5-difluorophenyl)-7-methyl-4-[(4-methyl-3-pyridinyl)amino]pyrazolo[5,4-b]pyridin-6-one (PubChem CID 45272621) has the molecular formula C19H15F2N5O and a molecular weight of 367.36 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-7-methyl-4-[(4-methyl-3-pyridinyl)amino]pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-7-methyl-4-[(4-methyl-3-pyridinyl)amino]pyrazolo[5,4-b]pyridin-6-one
PubChem CID45272621
Molecular FormulaC19H15F2N5O
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name1-(2,5-difluorophenyl)-7-methyl-4-[(4-methyl-3-pyridinyl)amino]pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccncc1Nc1cc(=O)n(C)c2c1cnn2-c1cc(F)ccc1F
InChIInChI=1S/C19H15F2N5O/c1-11-5-6-22-10-16(11)24-15-8-18(27)25(2)19-13(15)9-23-26(19)17-7-12(20)3-4-14(17)21/h3-10,24H,1-2H3
InChIKeySHTNULYTFRAXDF-UHFFFAOYSA-N
XLogP3.45
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-7-methyl-4-[(4-methyl-3-pyridinyl)amino]pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-(2,5-difluorophenyl)-7-methyl-4-[(4-methyl-3-pyridinyl)amino]pyrazolo[5,4-b]pyridin-6-one (CID 45272621) is 1-(2,5-difluorophenyl)-7-methyl-4-[(4-methyl-3-pyridinyl)amino]pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-(2,5-difluorophenyl)-7-methyl-4-[(4-methyl-3-pyridinyl)amino]pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-(2,5-difluorophenyl)-7-methyl-4-[(4-methyl-3-pyridinyl)amino]pyrazolo[5,4-b]pyridin-6-one is Cc1ccncc1Nc1cc(=O)n(C)c2c1cnn2-c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-7-methyl-4-[(4-methyl-3-pyridinyl)amino]pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is SHTNULYTFRAXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O/c1-11-5-6-22-10-16(11)24-15-8-18(27)25(2)19-13(15)9-23-26(19)17-7-12(20)3-4-14(17)21/h3-10,24H,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-7-methyl-4-[(4-methyl-3-pyridinyl)amino]pyrazolo[5,4-b]pyridin-6-one?
1-(2,5-difluorophenyl)-7-methyl-4-[(4-methyl-3-pyridinyl)amino]pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 367.36 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-7-methyl-4-[(4-methyl-3-pyridinyl)amino]pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 45272621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).