N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyridinyl]prop-1-en-2-amine

C30H37FN4O — CID 143708409

IUPACN-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyridinyl]prop-1-en-2-amine
SMILESC=C(Cc1ccc(-c2ccc(N3CCN(C)CC3)cc2)cn1)NCc1cc(F)cc(OCC(C)C)c1
InChIInChI=1S/C30H37FN4O/c1-22(2)21-36-30-17-24(16-27(31)18-30)19-32-23(3)15-28-8-5-26(20-33-28)25-6-9-29(10-7-25)35-13-11-34(4)12-14-35/h5-10,16-18,20,22,32H,3,11-15,19,21H2,1-2,4H3
InChIKeyYPRNMJDLKMYPKY-UHFFFAOYSA-N
MW488.65 g/mol
LogP5.52
Rot. Bonds10

About N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyridinyl]prop-1-en-2-amine

N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyridinyl]prop-1-en-2-amine (PubChem CID 143708409) has the molecular formula C30H37FN4O and a molecular weight of 488.65 g/mol. Its IUPAC name is N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyridinyl]prop-1-en-2-amine.

Molecular Properties

Compound NameN-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyridinyl]prop-1-en-2-amine
PubChem CID143708409
Molecular FormulaC30H37FN4O
Molecular Weight488.65 g/mol
Exact Mass488.30
IUPAC NameN-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyridinyl]prop-1-en-2-amine
SMILESC=C(Cc1ccc(-c2ccc(N3CCN(C)CC3)cc2)cn1)NCc1cc(F)cc(OCC(C)C)c1
InChIInChI=1S/C30H37FN4O/c1-22(2)21-36-30-17-24(16-27(31)18-30)19-32-23(3)15-28-8-5-26(20-33-28)25-6-9-29(10-7-25)35-13-11-34(4)12-14-35/h5-10,16-18,20,22,32H,3,11-15,19,21H2,1-2,4H3
InChIKeyYPRNMJDLKMYPKY-UHFFFAOYSA-N
XLogP5.52
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.65
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyridinyl]prop-1-en-2-amine 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-[5-[4-(3,4-dihydro-2H-pyridin-1-yl)phenyl]-2-pyridinyl]-N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]acetamide
CID 143708334
2-[5-(4-ethoxyphenyl)-2-pyridinyl]-N-[[3-fluoro-5-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide
CID 59000696
N-[(3-fluorophenyl)methyl]-3-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]prop-1-en-2-amine
CID 155017064
N-[[3-fluoro-5-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]methyl]-2-[5-(4-fluorophenyl)-2-pyridinyl]acetamide
CID 59000676
2-[5-(4-ethoxyphenyl)-2-pyridinyl]-N-[[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]methyl]acetamide
CID 11504134
ethane;2-[5-(4-ethoxyphenyl)-2-pyridinyl]-N-[[3-fluoro-5-(3-morpholin-4-ylpropoxy)phenyl]methyl]acetamide
CID 143708346
1-[5-[4-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-[4-ethoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one
CID 161158752
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-[4-(2-methylpropoxy)phenyl]thiourea
CID 163203512
2-[4-[4-(2-methylpropoxy)phenyl]piperazin-1-yl]ethanol
CID 82346708
N-[(3-fluorophenyl)methyl]-2-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]acetamide
CID 59000643
1-[5-(2,4-diethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-6-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(2-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(2-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one
CID 159791521
3-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)-1-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110545402

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyridinyl]prop-1-en-2-amine?
The IUPAC name of N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyridinyl]prop-1-en-2-amine (CID 143708409) is N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyridinyl]prop-1-en-2-amine.
What is the SMILES notation for N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyridinyl]prop-1-en-2-amine?
The canonical SMILES for N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyridinyl]prop-1-en-2-amine is C=C(Cc1ccc(-c2ccc(N3CCN(C)CC3)cc2)cn1)NCc1cc(F)cc(OCC(C)C)c1.
What is the InChIKey of N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyridinyl]prop-1-en-2-amine?
The InChIKey is YPRNMJDLKMYPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37FN4O/c1-22(2)21-36-30-17-24(16-27(31)18-30)19-32-23(3)15-28-8-5-26(20-33-28)25-6-9-29(10-7-25)35-13-11-34(4)12-14-35/h5-10,16-18,20,22,32H,3,11-15,19,21H2,1-2,4H3.
What are the key properties of N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyridinyl]prop-1-en-2-amine?
N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyridinyl]prop-1-en-2-amine has a molecular weight of 488.65 g/mol, XLogP of 5.52, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-(2-methylpropoxy)phenyl]methyl]-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyridinyl]prop-1-en-2-amine is sourced from PubChem (CID 143708409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).