2-[3-[1-(2-ethyl-5-fluorophenyl)ethenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyridin-4-ylpyrimidine

C26H29FN4 — CID 142238544

IUPAC2-[3-[1-(2-ethyl-5-fluorophenyl)ethenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyridin-4-ylpyrimidine
SMILESC=C(c1cc(F)ccc1CC)C1CCCN(C2=NC(c3ccncc3)=CC(=C)N2C)C1
InChIInChI=1S/C26H29FN4/c1-5-20-8-9-23(27)16-24(20)19(3)22-7-6-14-31(17-22)26-29-25(15-18(2)30(26)4)21-10-12-28-13-11-21/h8-13,15-16,22H,2-3,5-7,14,17H2,1,4H3
InChIKeyBYMIRSJCHZFVBA-UHFFFAOYSA-N
MW416.54 g/mol
LogP5.36
Rot. Bonds4

About 2-[3-[1-(2-ethyl-5-fluorophenyl)ethenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyridin-4-ylpyrimidine

2-[3-[1-(2-ethyl-5-fluorophenyl)ethenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyridin-4-ylpyrimidine (PubChem CID 142238544) has the molecular formula C26H29FN4 and a molecular weight of 416.54 g/mol. Its IUPAC name is 2-[3-[1-(2-ethyl-5-fluorophenyl)ethenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name2-[3-[1-(2-ethyl-5-fluorophenyl)ethenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyridin-4-ylpyrimidine
PubChem CID142238544
Molecular FormulaC26H29FN4
Molecular Weight416.54 g/mol
Exact Mass416.24
IUPAC Name2-[3-[1-(2-ethyl-5-fluorophenyl)ethenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyridin-4-ylpyrimidine
SMILESC=C(c1cc(F)ccc1CC)C1CCCN(C2=NC(c3ccncc3)=CC(=C)N2C)C1
InChIInChI=1S/C26H29FN4/c1-5-20-8-9-23(27)16-24(20)19(3)22-7-6-14-31(17-22)26-29-25(15-18(2)30(26)4)21-10-12-28-13-11-21/h8-13,15-16,22H,2-3,5-7,14,17H2,1,4H3
InChIKeyBYMIRSJCHZFVBA-UHFFFAOYSA-N
XLogP5.36
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.54
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-[1-(2-ethyl-5-fluorophenyl)ethenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-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

2-[3-[1-(4-fluoro-2-methylphenyl)ethenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyridin-4-ylpyrimidine
CID 142238721
1-methyl-6-methylidene-2-[3-[1-(4-phenylphenyl)ethenyl]piperidin-1-yl]-4-pyridin-4-ylpyrimidine
CID 142238726
[1-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)piperidin-3-yl]-(1,3,4,7-tetrahydrocyclohepta[c]pyridin-2-yl)methanone
CID 142238752
2-[3-[2-ethyl-5-(6-ethyl-2-pyridinyl)phenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidine
CID 142224010
2-[(3R)-3-(2-ethyl-6-methoxyphenyl)piperidin-1-yl]-1-methyl-6-methylidene-4-pyrimidin-4-ylpyrimidine
CID 142224060
3,4-dihydro-2H-quinolin-1-yl-[1-(1-methyl-6-methylidene-4-pyridin-4-ylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 142238753
1-methyl-6-methylidene-2-[3-(2-pyridin-4-ylphenyl)piperidin-1-yl]-4-pyrimidin-4-ylpyrimidine
CID 142224056
3-chloro-N-[1-[1-[4-[(3Z)-4-(ethylideneamino)buta-1,3-dien-2-yl]-1-methyl-6-methylidenepyrimidin-2-yl]piperidin-3-yl]ethenyl]aniline
CID 142238681
1-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid
CID 122040854
N-(2,4-difluorophenyl)-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070816
1-(2,5-difluorophenyl)piperidine-3-carboxylic acid
CID 82537830
1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767515

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2-ethyl-5-fluorophenyl)ethenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyridin-4-ylpyrimidine?
The IUPAC name of 2-[3-[1-(2-ethyl-5-fluorophenyl)ethenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyridin-4-ylpyrimidine (CID 142238544) is 2-[3-[1-(2-ethyl-5-fluorophenyl)ethenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyridin-4-ylpyrimidine.
What is the SMILES notation for 2-[3-[1-(2-ethyl-5-fluorophenyl)ethenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyridin-4-ylpyrimidine?
The canonical SMILES for 2-[3-[1-(2-ethyl-5-fluorophenyl)ethenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyridin-4-ylpyrimidine is C=C(c1cc(F)ccc1CC)C1CCCN(C2=NC(c3ccncc3)=CC(=C)N2C)C1.
What is the InChIKey of 2-[3-[1-(2-ethyl-5-fluorophenyl)ethenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyridin-4-ylpyrimidine?
The InChIKey is BYMIRSJCHZFVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4/c1-5-20-8-9-23(27)16-24(20)19(3)22-7-6-14-31(17-22)26-29-25(15-18(2)30(26)4)21-10-12-28-13-11-21/h8-13,15-16,22H,2-3,5-7,14,17H2,1,4H3.
What are the key properties of 2-[3-[1-(2-ethyl-5-fluorophenyl)ethenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyridin-4-ylpyrimidine?
2-[3-[1-(2-ethyl-5-fluorophenyl)ethenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyridin-4-ylpyrimidine has a molecular weight of 416.54 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(2-ethyl-5-fluorophenyl)ethenyl]piperidin-1-yl]-1-methyl-6-methylidene-4-pyridin-4-ylpyrimidine is sourced from PubChem (CID 142238544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).