2-[4-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-2-fluoro-6-methylphenyl]-5-methyl-2-pyridinyl]pyrimidin-2-yl]propan-2-ol

C26H22ClF3N4O2 — CID 165398206

IUPAC2-[4-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-2-fluoro-6-methylphenyl]-5-methyl-2-pyridinyl]pyrimidin-2-yl]propan-2-ol
SMILESCc1cnc(-c2ccnc(C(C)(C)O)n2)cc1-c1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1F
InChIInChI=1S/C26H22ClF3N4O2/c1-13-7-21(36-12-20-17(29)8-15(28)11-33-20)23(27)24(30)22(13)16-9-19(32-10-14(16)2)18-5-6-31-25(34-18)26(3,4)35/h5-11,35H,12H2,1-4H3
InChIKeyAADVFIGNLZPZPW-UHFFFAOYSA-N
MW514.94 g/mol
LogP6.09
Rot. Bonds6

About 2-[4-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-2-fluoro-6-methylphenyl]-5-methyl-2-pyridinyl]pyrimidin-2-yl]propan-2-ol

2-[4-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-2-fluoro-6-methylphenyl]-5-methyl-2-pyridinyl]pyrimidin-2-yl]propan-2-ol (PubChem CID 165398206) has the molecular formula C26H22ClF3N4O2 and a molecular weight of 514.94 g/mol. Its IUPAC name is 2-[4-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-2-fluoro-6-methylphenyl]-5-methyl-2-pyridinyl]pyrimidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-2-fluoro-6-methylphenyl]-5-methyl-2-pyridinyl]pyrimidin-2-yl]propan-2-ol
PubChem CID165398206
Molecular FormulaC26H22ClF3N4O2
Molecular Weight514.94 g/mol
Exact Mass514.14
IUPAC Name2-[4-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-2-fluoro-6-methylphenyl]-5-methyl-2-pyridinyl]pyrimidin-2-yl]propan-2-ol
SMILESCc1cnc(-c2ccnc(C(C)(C)O)n2)cc1-c1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1F
InChIInChI=1S/C26H22ClF3N4O2/c1-13-7-21(36-12-20-17(29)8-15(28)11-33-20)23(27)24(30)22(13)16-9-19(32-10-14(16)2)18-5-6-31-25(34-18)26(3,4)35/h5-11,35H,12H2,1-4H3
InChIKeyAADVFIGNLZPZPW-UHFFFAOYSA-N
XLogP6.09
TPSA81.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.94
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-2-fluoro-6-methylphenyl]-5-methyl-2-pyridinyl]pyrimidin-2-yl]propan-2-ol 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 2-[4-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-2-fluoro-6-methylphenyl]-5-methyl-2-pyridinyl]pyrimidin-2-yl]propan-2-ol?
The IUPAC name of 2-[4-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-2-fluoro-6-methylphenyl]-5-methyl-2-pyridinyl]pyrimidin-2-yl]propan-2-ol (CID 165398206) is 2-[4-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-2-fluoro-6-methylphenyl]-5-methyl-2-pyridinyl]pyrimidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[4-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-2-fluoro-6-methylphenyl]-5-methyl-2-pyridinyl]pyrimidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[4-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-2-fluoro-6-methylphenyl]-5-methyl-2-pyridinyl]pyrimidin-2-yl]propan-2-ol is Cc1cnc(-c2ccnc(C(C)(C)O)n2)cc1-c1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1F.
What is the InChIKey of 2-[4-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-2-fluoro-6-methylphenyl]-5-methyl-2-pyridinyl]pyrimidin-2-yl]propan-2-ol?
The InChIKey is AADVFIGNLZPZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClF3N4O2/c1-13-7-21(36-12-20-17(29)8-15(28)11-33-20)23(27)24(30)22(13)16-9-19(32-10-14(16)2)18-5-6-31-25(34-18)26(3,4)35/h5-11,35H,12H2,1-4H3.
What are the key properties of 2-[4-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-2-fluoro-6-methylphenyl]-5-methyl-2-pyridinyl]pyrimidin-2-yl]propan-2-ol?
2-[4-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-2-fluoro-6-methylphenyl]-5-methyl-2-pyridinyl]pyrimidin-2-yl]propan-2-ol has a molecular weight of 514.94 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-2-fluoro-6-methylphenyl]-5-methyl-2-pyridinyl]pyrimidin-2-yl]propan-2-ol is sourced from PubChem (CID 165398206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).