4-[5-chloro-4-[4-[(4-fluorophenyl)methoxy]-3,6-dimethyl-2H-pyridin-1-yl]-2-pyridinyl]-2-propan-2-ylpyrimidine

C26H26ClFN4O — CID 141340200

IUPAC4-[5-chloro-4-[4-[(4-fluorophenyl)methoxy]-3,6-dimethyl-2H-pyridin-1-yl]-2-pyridinyl]-2-propan-2-ylpyrimidine
SMILESCC1=CC(OCc2ccc(F)cc2)=C(C)CN1c1cc(-c2ccnc(C(C)C)n2)ncc1Cl
InChIInChI=1S/C26H26ClFN4O/c1-16(2)26-29-10-9-22(31-26)23-12-24(21(27)13-30-23)32-14-17(3)25(11-18(32)4)33-15-19-5-7-20(28)8-6-19/h5-13,16H,14-15H2,1-4H3
InChIKeyPZGGZRGAEBGRRL-UHFFFAOYSA-N
MW464.97 g/mol
LogP6.67
Rot. Bonds6

About 4-[5-chloro-4-[4-[(4-fluorophenyl)methoxy]-3,6-dimethyl-2H-pyridin-1-yl]-2-pyridinyl]-2-propan-2-ylpyrimidine

4-[5-chloro-4-[4-[(4-fluorophenyl)methoxy]-3,6-dimethyl-2H-pyridin-1-yl]-2-pyridinyl]-2-propan-2-ylpyrimidine (PubChem CID 141340200) has the molecular formula C26H26ClFN4O and a molecular weight of 464.97 g/mol. Its IUPAC name is 4-[5-chloro-4-[4-[(4-fluorophenyl)methoxy]-3,6-dimethyl-2H-pyridin-1-yl]-2-pyridinyl]-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-[5-chloro-4-[4-[(4-fluorophenyl)methoxy]-3,6-dimethyl-2H-pyridin-1-yl]-2-pyridinyl]-2-propan-2-ylpyrimidine
PubChem CID141340200
Molecular FormulaC26H26ClFN4O
Molecular Weight464.97 g/mol
Exact Mass464.18
IUPAC Name4-[5-chloro-4-[4-[(4-fluorophenyl)methoxy]-3,6-dimethyl-2H-pyridin-1-yl]-2-pyridinyl]-2-propan-2-ylpyrimidine
SMILESCC1=CC(OCc2ccc(F)cc2)=C(C)CN1c1cc(-c2ccnc(C(C)C)n2)ncc1Cl
InChIInChI=1S/C26H26ClFN4O/c1-16(2)26-29-10-9-22(31-26)23-12-24(21(27)13-30-23)32-14-17(3)25(11-18(32)4)33-15-19-5-7-20(28)8-6-19/h5-13,16H,14-15H2,1-4H3
InChIKeyPZGGZRGAEBGRRL-UHFFFAOYSA-N
XLogP6.67
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.97
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-2-(2-chloro-6-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 68882695
[5-[(2-chloro-6-fluorophenyl)methyl]-6-propyl-2-pyridin-2-ylpyrimidin-4-yl] N,N-dimethylcarbamate
CID 2730742
N-(2-(3-chlorobenzyloxy)-6-methylpyridin-4-yl)-N-methylpyrimidin-5-amine
CID 44410038
5-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 44591391
1-[[4-[(4-Chloro-3-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methylimidazo[1,5-a]pyridine
CID 168284020
2-[[4-[(4-Chloro-3-fluorophenyl)methoxy]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 168287664
3-[[4-[(4-Chloro-3-fluorophenyl)methoxy]piperidin-1-yl]methyl]imidazo[1,5-a]pyridine
CID 168297637
3-chloro-4-((2,4-difluorobenzyl)oxy)-2'-(2-(2-hydroxypropan-2-yl)pyrimidin-4-yl)-5',6-dimethyl-2H-[1,4'-bipyridin]-2-one
CID 57325410
2'-[2-(tert-butyl)pyrimidin-4-yl]-3-chloro-4-((2,4-difluorobenzyl)oxy)-5',6-dimethyl-2H-[1,4'-bipyridin]-2-one
CID 57406361
US11680056, Example 3A
CID 165398097
US11680056, Example 22A
CID 165398396
(1R)-N'-[5-chloro-2-(5-chloro-2-pyridinyl)-6-methylpyrimidin-4-yl]-1-phenyl-N-[4-(4-propoxyphenyl)butyl]ethane-1,2-diamine
CID 71602648

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-4-[4-[(4-fluorophenyl)methoxy]-3,6-dimethyl-2H-pyridin-1-yl]-2-pyridinyl]-2-propan-2-ylpyrimidine?
The IUPAC name of 4-[5-chloro-4-[4-[(4-fluorophenyl)methoxy]-3,6-dimethyl-2H-pyridin-1-yl]-2-pyridinyl]-2-propan-2-ylpyrimidine (CID 141340200) is 4-[5-chloro-4-[4-[(4-fluorophenyl)methoxy]-3,6-dimethyl-2H-pyridin-1-yl]-2-pyridinyl]-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-[5-chloro-4-[4-[(4-fluorophenyl)methoxy]-3,6-dimethyl-2H-pyridin-1-yl]-2-pyridinyl]-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-[5-chloro-4-[4-[(4-fluorophenyl)methoxy]-3,6-dimethyl-2H-pyridin-1-yl]-2-pyridinyl]-2-propan-2-ylpyrimidine is CC1=CC(OCc2ccc(F)cc2)=C(C)CN1c1cc(-c2ccnc(C(C)C)n2)ncc1Cl.
What is the InChIKey of 4-[5-chloro-4-[4-[(4-fluorophenyl)methoxy]-3,6-dimethyl-2H-pyridin-1-yl]-2-pyridinyl]-2-propan-2-ylpyrimidine?
The InChIKey is PZGGZRGAEBGRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN4O/c1-16(2)26-29-10-9-22(31-26)23-12-24(21(27)13-30-23)32-14-17(3)25(11-18(32)4)33-15-19-5-7-20(28)8-6-19/h5-13,16H,14-15H2,1-4H3.
What are the key properties of 4-[5-chloro-4-[4-[(4-fluorophenyl)methoxy]-3,6-dimethyl-2H-pyridin-1-yl]-2-pyridinyl]-2-propan-2-ylpyrimidine?
4-[5-chloro-4-[4-[(4-fluorophenyl)methoxy]-3,6-dimethyl-2H-pyridin-1-yl]-2-pyridinyl]-2-propan-2-ylpyrimidine has a molecular weight of 464.97 g/mol, XLogP of 6.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-4-[4-[(4-fluorophenyl)methoxy]-3,6-dimethyl-2H-pyridin-1-yl]-2-pyridinyl]-2-propan-2-ylpyrimidine is sourced from PubChem (CID 141340200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).