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

C28H26ClF2N5O3 — CID 165398009

IUPAC3-chloro-1-[2-[5-cyclopropyl-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one
SMILESCc1cnc(-c2nc(C(C)(C)O)ncc2C2CC2)cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O
InChIInChI=1S/C28H26ClF2N5O3/c1-14-10-32-20(25-18(16-5-6-16)12-34-27(35-25)28(3,4)38)9-22(14)36-15(2)7-23(24(29)26(36)37)39-13-21-19(31)8-17(30)11-33-21/h7-12,16,38H,5-6,13H2,1-4H3
InChIKeyYQPIHNHVBSFNIZ-UHFFFAOYSA-N
MW554.00 g/mol
LogP5.32
Rot. Bonds7

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

3-chloro-1-[2-[5-cyclopropyl-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one (PubChem CID 165398009) has the molecular formula C28H26ClF2N5O3 and a molecular weight of 554.00 g/mol. Its IUPAC name is 3-chloro-1-[2-[5-cyclopropyl-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-chloro-1-[2-[5-cyclopropyl-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one
PubChem CID165398009
Molecular FormulaC28H26ClF2N5O3
Molecular Weight554.00 g/mol
Exact Mass553.17
IUPAC Name3-chloro-1-[2-[5-cyclopropyl-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one
SMILESCc1cnc(-c2nc(C(C)(C)O)ncc2C2CC2)cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O
InChIInChI=1S/C28H26ClF2N5O3/c1-14-10-32-20(25-18(16-5-6-16)12-34-27(35-25)28(3,4)38)9-22(14)36-15(2)7-23(24(29)26(36)37)39-13-21-19(31)8-17(30)11-33-21/h7-12,16,38H,5-6,13H2,1-4H3
InChIKeyYQPIHNHVBSFNIZ-UHFFFAOYSA-N
XLogP5.32
TPSA103.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.00
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-chloro-1-[2-[5-cyclopropyl-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[2-[5-cyclopropyl-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one?
The IUPAC name of 3-chloro-1-[2-[5-cyclopropyl-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one (CID 165398009) is 3-chloro-1-[2-[5-cyclopropyl-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one.
What is the SMILES notation for 3-chloro-1-[2-[5-cyclopropyl-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one?
The canonical SMILES for 3-chloro-1-[2-[5-cyclopropyl-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one is Cc1cnc(-c2nc(C(C)(C)O)ncc2C2CC2)cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O.
What is the InChIKey of 3-chloro-1-[2-[5-cyclopropyl-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one?
The InChIKey is YQPIHNHVBSFNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClF2N5O3/c1-14-10-32-20(25-18(16-5-6-16)12-34-27(35-25)28(3,4)38)9-22(14)36-15(2)7-23(24(29)26(36)37)39-13-21-19(31)8-17(30)11-33-21/h7-12,16,38H,5-6,13H2,1-4H3.
What are the key properties of 3-chloro-1-[2-[5-cyclopropyl-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one?
3-chloro-1-[2-[5-cyclopropyl-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one has a molecular weight of 554.00 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[2-[5-cyclopropyl-2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-4-[(3,5-difluoro-2-pyridinyl)methoxy]-6-methylpyridin-2-one is sourced from PubChem (CID 165398009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).