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

C26H24ClF2N5O3 — CID 165398366

IUPAC3-chloro-4-[[4-(difluoromethyl)-2-pyridinyl]methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one
SMILESCc1cnc(-c2ccnc(C(C)(C)O)n2)cc1-n1c(C)cc(OCc2cc(C(F)F)ccn2)c(Cl)c1=O
InChIInChI=1S/C26H24ClF2N5O3/c1-14-12-32-19(18-6-8-31-25(33-18)26(3,4)36)11-20(14)34-15(2)9-21(22(27)24(34)35)37-13-17-10-16(23(28)29)5-7-30-17/h5-12,23,36H,13H2,1-4H3
InChIKeyWPKZAKOPNILTTH-UHFFFAOYSA-N
MW527.96 g/mol
LogP5.10
Rot. Bonds7

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

3-chloro-4-[[4-(difluoromethyl)-2-pyridinyl]methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one (PubChem CID 165398366) has the molecular formula C26H24ClF2N5O3 and a molecular weight of 527.96 g/mol. Its IUPAC name is 3-chloro-4-[[4-(difluoromethyl)-2-pyridinyl]methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-chloro-4-[[4-(difluoromethyl)-2-pyridinyl]methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one
PubChem CID165398366
Molecular FormulaC26H24ClF2N5O3
Molecular Weight527.96 g/mol
Exact Mass527.15
IUPAC Name3-chloro-4-[[4-(difluoromethyl)-2-pyridinyl]methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one
SMILESCc1cnc(-c2ccnc(C(C)(C)O)n2)cc1-n1c(C)cc(OCc2cc(C(F)F)ccn2)c(Cl)c1=O
InChIInChI=1S/C26H24ClF2N5O3/c1-14-12-32-19(18-6-8-31-25(33-18)26(3,4)36)11-20(14)34-15(2)9-21(22(27)24(34)35)37-13-17-10-16(23(28)29)5-7-30-17/h5-12,23,36H,13H2,1-4H3
InChIKeyWPKZAKOPNILTTH-UHFFFAOYSA-N
XLogP5.10
TPSA103.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.96
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[4-(difluoromethyl)-2-pyridinyl]methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?
The IUPAC name of 3-chloro-4-[[4-(difluoromethyl)-2-pyridinyl]methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one (CID 165398366) is 3-chloro-4-[[4-(difluoromethyl)-2-pyridinyl]methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one.
What is the SMILES notation for 3-chloro-4-[[4-(difluoromethyl)-2-pyridinyl]methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?
The canonical SMILES for 3-chloro-4-[[4-(difluoromethyl)-2-pyridinyl]methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one is Cc1cnc(-c2ccnc(C(C)(C)O)n2)cc1-n1c(C)cc(OCc2cc(C(F)F)ccn2)c(Cl)c1=O.
What is the InChIKey of 3-chloro-4-[[4-(difluoromethyl)-2-pyridinyl]methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?
The InChIKey is WPKZAKOPNILTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClF2N5O3/c1-14-12-32-19(18-6-8-31-25(33-18)26(3,4)36)11-20(14)34-15(2)9-21(22(27)24(34)35)37-13-17-10-16(23(28)29)5-7-30-17/h5-12,23,36H,13H2,1-4H3.
What are the key properties of 3-chloro-4-[[4-(difluoromethyl)-2-pyridinyl]methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?
3-chloro-4-[[4-(difluoromethyl)-2-pyridinyl]methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one has a molecular weight of 527.96 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[[4-(difluoromethyl)-2-pyridinyl]methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one is sourced from PubChem (CID 165398366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).