1-[2-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine

C29H28FN5O — CID 58824648

IUPAC1-[2-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine
SMILESCOc1ccc(CCc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CN(C)C)ccn34)n2)cc1
InChIInChI=1S/C29H28FN5O/c1-34(2)19-21-15-17-35-27(18-21)33-28(22-7-9-23(30)10-8-22)29(35)25-14-16-31-26(32-25)13-6-20-4-11-24(36-3)12-5-20/h4-5,7-12,14-18H,6,13,19H2,1-3H3
InChIKeySANMAVQHDVTSIE-UHFFFAOYSA-N
MW481.58 g/mol
LogP5.45
Rot. Bonds8

About 1-[2-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine

1-[2-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine (PubChem CID 58824648) has the molecular formula C29H28FN5O and a molecular weight of 481.58 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine
PubChem CID58824648
Molecular FormulaC29H28FN5O
Molecular Weight481.58 g/mol
Exact Mass481.23
IUPAC Name1-[2-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine
SMILESCOc1ccc(CCc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CN(C)C)ccn34)n2)cc1
InChIInChI=1S/C29H28FN5O/c1-34(2)19-21-15-17-35-27(18-21)33-28(22-7-9-23(30)10-8-22)29(35)25-14-16-31-26(32-25)13-6-20-4-11-24(36-3)12-5-20/h4-5,7-12,14-18H,6,13,19H2,1-3H3
InChIKeySANMAVQHDVTSIE-UHFFFAOYSA-N
XLogP5.45
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.58
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine (CID 58824648) is 1-[2-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine is COc1ccc(CCc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CN(C)C)ccn34)n2)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine?
The InChIKey is SANMAVQHDVTSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN5O/c1-34(2)19-21-15-17-35-27(18-21)33-28(22-7-9-23(30)10-8-22)29(35)25-14-16-31-26(32-25)13-6-20-4-11-24(36-3)12-5-20/h4-5,7-12,14-18H,6,13,19H2,1-3H3.
What are the key properties of 1-[2-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine?
1-[2-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine has a molecular weight of 481.58 g/mol, XLogP of 5.45, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 58824648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).