6-[2,6-difluoro-4-(3-hydroxyoxetan-3-yl)phenyl]-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

C19H15F3N4O3 — CID 144595343

IUPAC6-[2,6-difluoro-4-(3-hydroxyoxetan-3-yl)phenyl]-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2ccc(F)c(-c3c(F)cc(C4(O)COC4)cc3F)n2)cn1
InChIInChI=1S/C19H15F3N4O3/c1-26-7-11(6-23-26)24-18(27)15-3-2-12(20)17(25-15)16-13(21)4-10(5-14(16)22)19(28)8-29-9-19/h2-7,28H,8-9H2,1H3,(H,24,27)
InChIKeyRBTXHTOIUUAQGN-UHFFFAOYSA-N
MW404.35 g/mol
LogP2.37
Rot. Bonds4

About 6-[2,6-difluoro-4-(3-hydroxyoxetan-3-yl)phenyl]-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

6-[2,6-difluoro-4-(3-hydroxyoxetan-3-yl)phenyl]-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 144595343) has the molecular formula C19H15F3N4O3 and a molecular weight of 404.35 g/mol. Its IUPAC name is 6-[2,6-difluoro-4-(3-hydroxyoxetan-3-yl)phenyl]-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[2,6-difluoro-4-(3-hydroxyoxetan-3-yl)phenyl]-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
PubChem CID144595343
Molecular FormulaC19H15F3N4O3
Molecular Weight404.35 g/mol
Exact Mass404.11
IUPAC Name6-[2,6-difluoro-4-(3-hydroxyoxetan-3-yl)phenyl]-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2ccc(F)c(-c3c(F)cc(C4(O)COC4)cc3F)n2)cn1
InChIInChI=1S/C19H15F3N4O3/c1-26-7-11(6-23-26)24-18(27)15-3-2-12(20)17(25-15)16-13(21)4-10(5-14(16)22)19(28)8-29-9-19/h2-7,28H,8-9H2,1H3,(H,24,27)
InChIKeyRBTXHTOIUUAQGN-UHFFFAOYSA-N
XLogP2.37
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2,6-difluoro-4-(3-hydroxyoxetan-3-yl)phenyl]-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of 6-[2,6-difluoro-4-(3-hydroxyoxetan-3-yl)phenyl]-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (CID 144595343) is 6-[2,6-difluoro-4-(3-hydroxyoxetan-3-yl)phenyl]-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[2,6-difluoro-4-(3-hydroxyoxetan-3-yl)phenyl]-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-[2,6-difluoro-4-(3-hydroxyoxetan-3-yl)phenyl]-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is Cn1cc(NC(=O)c2ccc(F)c(-c3c(F)cc(C4(O)COC4)cc3F)n2)cn1.
What is the InChIKey of 6-[2,6-difluoro-4-(3-hydroxyoxetan-3-yl)phenyl]-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is RBTXHTOIUUAQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O3/c1-26-7-11(6-23-26)24-18(27)15-3-2-12(20)17(25-15)16-13(21)4-10(5-14(16)22)19(28)8-29-9-19/h2-7,28H,8-9H2,1H3,(H,24,27).
What are the key properties of 6-[2,6-difluoro-4-(3-hydroxyoxetan-3-yl)phenyl]-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
6-[2,6-difluoro-4-(3-hydroxyoxetan-3-yl)phenyl]-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 404.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,6-difluoro-4-(3-hydroxyoxetan-3-yl)phenyl]-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 144595343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).