3-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one

C26H24F2N4O3 — CID 175922423

IUPAC3-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one
SMILESCc1cnc(-c2cccc(C(C)(C)O)n2)cc1-n1c(C)ccc(OCc2ncc(F)cc2F)c1=O
InChIInChI=1S/C26H24F2N4O3/c1-15-12-29-20(19-6-5-7-24(31-19)26(3,4)34)11-22(15)32-16(2)8-9-23(25(32)33)35-14-21-18(28)10-17(27)13-30-21/h5-13,34H,14H2,1-4H3
InChIKeyAIPQDHWDRSQJKS-UHFFFAOYSA-N
MW478.50 g/mol
LogP4.39
Rot. Bonds6

About 3-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one

3-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one (PubChem CID 175922423) has the molecular formula C26H24F2N4O3 and a molecular weight of 478.50 g/mol. Its IUPAC name is 3-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one
PubChem CID175922423
Molecular FormulaC26H24F2N4O3
Molecular Weight478.50 g/mol
Exact Mass478.18
IUPAC Name3-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one
SMILESCc1cnc(-c2cccc(C(C)(C)O)n2)cc1-n1c(C)ccc(OCc2ncc(F)cc2F)c1=O
InChIInChI=1S/C26H24F2N4O3/c1-15-12-29-20(19-6-5-7-24(31-19)26(3,4)34)11-22(15)32-16(2)8-9-23(25(32)33)35-14-21-18(28)10-17(27)13-30-21/h5-13,34H,14H2,1-4H3
InChIKeyAIPQDHWDRSQJKS-UHFFFAOYSA-N
XLogP4.39
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.50
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?
The IUPAC name of 3-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one (CID 175922423) is 3-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one.
What is the SMILES notation for 3-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?
The canonical SMILES for 3-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one is Cc1cnc(-c2cccc(C(C)(C)O)n2)cc1-n1c(C)ccc(OCc2ncc(F)cc2F)c1=O.
What is the InChIKey of 3-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?
The InChIKey is AIPQDHWDRSQJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O3/c1-15-12-29-20(19-6-5-7-24(31-19)26(3,4)34)11-22(15)32-16(2)8-9-23(25(32)33)35-14-21-18(28)10-17(27)13-30-21/h5-13,34H,14H2,1-4H3.
What are the key properties of 3-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?
3-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one has a molecular weight of 478.50 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-difluoro-2-pyridinyl)methoxy]-1-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one is sourced from PubChem (CID 175922423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).