2-[1-[(4,4-difluorocyclohexyl)methyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid

C19H18F2N4O2 — CID 135308465

IUPAC2-[1-[(4,4-difluorocyclohexyl)methyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc3cnn(CC4CCC(F)(F)CC4)c3cn2)c1
InChIInChI=1S/C19H18F2N4O2/c20-19(21)4-1-12(2-5-19)11-25-17-10-23-16(8-14(17)9-24-25)15-7-13(18(26)27)3-6-22-15/h3,6-10,12H,1-2,4-5,11H2,(H,26,27)
InChIKeyYOEHPBIBPIUNRW-UHFFFAOYSA-N
MW372.38 g/mol
LogP4.02
Rot. Bonds4

About 2-[1-[(4,4-difluorocyclohexyl)methyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid

2-[1-[(4,4-difluorocyclohexyl)methyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid (PubChem CID 135308465) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-[1-[(4,4-difluorocyclohexyl)methyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(4,4-difluorocyclohexyl)methyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid
PubChem CID135308465
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name2-[1-[(4,4-difluorocyclohexyl)methyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc3cnn(CC4CCC(F)(F)CC4)c3cn2)c1
InChIInChI=1S/C19H18F2N4O2/c20-19(21)4-1-12(2-5-19)11-25-17-10-23-16(8-14(17)9-24-25)15-7-13(18(26)27)3-6-22-15/h3,6-10,12H,1-2,4-5,11H2,(H,26,27)
InChIKeyYOEHPBIBPIUNRW-UHFFFAOYSA-N
XLogP4.02
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4,4-difluorocyclohexyl)methyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-[(4,4-difluorocyclohexyl)methyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid (CID 135308465) is 2-[1-[(4,4-difluorocyclohexyl)methyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-[(4,4-difluorocyclohexyl)methyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-[(4,4-difluorocyclohexyl)methyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2cc3cnn(CC4CCC(F)(F)CC4)c3cn2)c1.
What is the InChIKey of 2-[1-[(4,4-difluorocyclohexyl)methyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid?
The InChIKey is YOEHPBIBPIUNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c20-19(21)4-1-12(2-5-19)11-25-17-10-23-16(8-14(17)9-24-25)15-7-13(18(26)27)3-6-22-15/h3,6-10,12H,1-2,4-5,11H2,(H,26,27).
What are the key properties of 2-[1-[(4,4-difluorocyclohexyl)methyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid?
2-[1-[(4,4-difluorocyclohexyl)methyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid has a molecular weight of 372.38 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4,4-difluorocyclohexyl)methyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 135308465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).