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

C29H29FN4O2 — CID 42501824

IUPAC4-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-methoxyphenyl)-2-pyridin-4-ylpyrimidine
SMILESCOc1cccc(-c2cnc(-c3ccncc3)nc2C2CCN(Cc3ccc(F)c(OC)c3)CC2)c1
InChIInChI=1S/C29H29FN4O2/c1-35-24-5-3-4-23(17-24)25-18-32-29(22-8-12-31-13-9-22)33-28(25)21-10-14-34(15-11-21)19-20-6-7-26(30)27(16-20)36-2/h3-9,12-13,16-18,21H,10-11,14-15,19H2,1-2H3
InChIKeyFNLOUWOXMQAHSH-UHFFFAOYSA-N
MW484.58 g/mol
LogP5.74
Rot. Bonds7

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

4-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-methoxyphenyl)-2-pyridin-4-ylpyrimidine (PubChem CID 42501824) has the molecular formula C29H29FN4O2 and a molecular weight of 484.58 g/mol. Its IUPAC name is 4-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-methoxyphenyl)-2-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-methoxyphenyl)-2-pyridin-4-ylpyrimidine
PubChem CID42501824
Molecular FormulaC29H29FN4O2
Molecular Weight484.58 g/mol
Exact Mass484.23
IUPAC Name4-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-methoxyphenyl)-2-pyridin-4-ylpyrimidine
SMILESCOc1cccc(-c2cnc(-c3ccncc3)nc2C2CCN(Cc3ccc(F)c(OC)c3)CC2)c1
InChIInChI=1S/C29H29FN4O2/c1-35-24-5-3-4-23(17-24)25-18-32-29(22-8-12-31-13-9-22)33-28(25)21-10-14-34(15-11-21)19-20-6-7-26(30)27(16-20)36-2/h3-9,12-13,16-18,21H,10-11,14-15,19H2,1-2H3
InChIKeyFNLOUWOXMQAHSH-UHFFFAOYSA-N
XLogP5.74
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.58
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-Ethyl-5-{3-[3-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149550
(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 24180585
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
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
2-[4-(2-Methyl-5-pyridin-4-yl-pyrimidin-4-yl)-phenoxymethyl]-quinoline
CID 11495114
(4-(2-Fluorophenyl)-5-(4-methoxyphenyl)pyrimidin-2-yl)(4-(quinolin-3-yl)piperazin-1-yl)methanone
CID 54580295
7-(4-Methoxyphenyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine
CID 2817025

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-methoxyphenyl)-2-pyridin-4-ylpyrimidine?
The IUPAC name of 4-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-methoxyphenyl)-2-pyridin-4-ylpyrimidine (CID 42501824) is 4-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-methoxyphenyl)-2-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-methoxyphenyl)-2-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-methoxyphenyl)-2-pyridin-4-ylpyrimidine is COc1cccc(-c2cnc(-c3ccncc3)nc2C2CCN(Cc3ccc(F)c(OC)c3)CC2)c1.
What is the InChIKey of 4-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-methoxyphenyl)-2-pyridin-4-ylpyrimidine?
The InChIKey is FNLOUWOXMQAHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN4O2/c1-35-24-5-3-4-23(17-24)25-18-32-29(22-8-12-31-13-9-22)33-28(25)21-10-14-34(15-11-21)19-20-6-7-26(30)27(16-20)36-2/h3-9,12-13,16-18,21H,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-methoxyphenyl)-2-pyridin-4-ylpyrimidine?
4-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-methoxyphenyl)-2-pyridin-4-ylpyrimidine has a molecular weight of 484.58 g/mol, XLogP of 5.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-methoxyphenyl)-2-pyridin-4-ylpyrimidine is sourced from PubChem (CID 42501824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).