4-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-methylphenyl)-2-pyridin-4-ylpyrimidine

C29H29FN4O — CID 42424046

IUPAC4-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-methylphenyl)-2-pyridin-4-ylpyrimidine
SMILESCOc1cc(CN2CCC(c3nc(-c4ccncc4)ncc3-c3cccc(C)c3)CC2)ccc1F
InChIInChI=1S/C29H29FN4O/c1-20-4-3-5-24(16-20)25-18-32-29(23-8-12-31-13-9-23)33-28(25)22-10-14-34(15-11-22)19-21-6-7-26(30)27(17-21)35-2/h3-9,12-13,16-18,22H,10-11,14-15,19H2,1-2H3
InChIKeyHLMLEXFBQFGHKY-UHFFFAOYSA-N
MW468.58 g/mol
LogP6.04
Rot. Bonds6

About 4-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-methylphenyl)-2-pyridin-4-ylpyrimidine

4-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-methylphenyl)-2-pyridin-4-ylpyrimidine (PubChem CID 42424046) has the molecular formula C29H29FN4O and a molecular weight of 468.58 g/mol. Its IUPAC name is 4-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-methylphenyl)-2-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-methylphenyl)-2-pyridin-4-ylpyrimidine
PubChem CID42424046
Molecular FormulaC29H29FN4O
Molecular Weight468.58 g/mol
Exact Mass468.23
IUPAC Name4-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-methylphenyl)-2-pyridin-4-ylpyrimidine
SMILESCOc1cc(CN2CCC(c3nc(-c4ccncc4)ncc3-c3cccc(C)c3)CC2)ccc1F
InChIInChI=1S/C29H29FN4O/c1-20-4-3-5-24(16-20)25-18-32-29(23-8-12-31-13-9-23)33-28(25)22-10-14-34(15-11-22)19-21-6-7-26(30)27(17-21)35-2/h3-9,12-13,16-18,22H,10-11,14-15,19H2,1-2H3
InChIKeyHLMLEXFBQFGHKY-UHFFFAOYSA-N
XLogP6.04
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.58
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-methylphenyl)-2-pyridin-4-ylpyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

6-Ethyl-5-{3-[2-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149549
6-Ethyl-5-{3-[3-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149550
6-Ethyl-5-[3-(3-methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]pyrimidine-2,4-diamine
CID 71525312
5-[3-(3-Methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]-6-methylpyrimidine-2,4-diamine
CID 71560291
4-[4-(4-Methoxyphenyl)piperazin-1-Yl]-2-(Pyridin-2-Yl)quinazoline
CID 58279815
2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[2,3-d]pyrimidine
CID 134611708
cis-1-(4-(3-Methoxyphenyl)cyclohexyl)-4-(pyridin-2-yl)piperazine
CID 10020855
6-Ethyl-5-[3-(2-methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]pyrimidine-2,4-diamine
CID 118753247
3-Methoxy-5-(7-methylpyrido[2,3-d]pyrimidin-2-yl)benzonitrile
CID 24180510
6-Ethyl-5-{(3r)-3-[3-Methoxy-5-(Pyridin-4-Yl)phenyl]but-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 56955942
6-Ethyl-5-{3-[3-(Isoquinolin-5-Yl)-5-Methoxyphenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 71560296
6-(2-Methoxyphenyl)-N~4~,N~4~-Bis[(Pyridin-2-Yl)methyl]pyrimidine-2,4-Diamine
CID 124220260

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-methylphenyl)-2-pyridin-4-ylpyrimidine?
The IUPAC name of 4-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-methylphenyl)-2-pyridin-4-ylpyrimidine (CID 42424046) is 4-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-methylphenyl)-2-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-methylphenyl)-2-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-methylphenyl)-2-pyridin-4-ylpyrimidine is COc1cc(CN2CCC(c3nc(-c4ccncc4)ncc3-c3cccc(C)c3)CC2)ccc1F.
What is the InChIKey of 4-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-methylphenyl)-2-pyridin-4-ylpyrimidine?
The InChIKey is HLMLEXFBQFGHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN4O/c1-20-4-3-5-24(16-20)25-18-32-29(23-8-12-31-13-9-23)33-28(25)22-10-14-34(15-11-22)19-21-6-7-26(30)27(17-21)35-2/h3-9,12-13,16-18,22H,10-11,14-15,19H2,1-2H3.
What are the key properties of 4-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-methylphenyl)-2-pyridin-4-ylpyrimidine?
4-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-methylphenyl)-2-pyridin-4-ylpyrimidine has a molecular weight of 468.58 g/mol, XLogP of 6.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-methylphenyl)-2-pyridin-4-ylpyrimidine is sourced from PubChem (CID 42424046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).