4-[3-[2-(4-fluorophenyl)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide

C32H31FN6O — CID 68522242

IUPAC4-[3-[2-(4-fluorophenyl)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
SMILESCN1CCN(CCNC(=O)c2ccc(-c3ccn4c(-c5ccnc(-c6ccc(F)cc6)c5)cnc4c3)cc2)CC1
InChIInChI=1S/C32H31FN6O/c1-37-16-18-38(19-17-37)15-13-35-32(40)25-4-2-23(3-5-25)26-11-14-39-30(22-36-31(39)21-26)27-10-12-34-29(20-27)24-6-8-28(33)9-7-24/h2-12,14,20-22H,13,15-19H2,1H3,(H,35,40)
InChIKeyCMHIZLDMQPRTBW-UHFFFAOYSA-N
MW534.64 g/mol
LogP4.85
Rot. Bonds7

About 4-[3-[2-(4-fluorophenyl)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide

4-[3-[2-(4-fluorophenyl)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide (PubChem CID 68522242) has the molecular formula C32H31FN6O and a molecular weight of 534.64 g/mol. Its IUPAC name is 4-[3-[2-(4-fluorophenyl)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[3-[2-(4-fluorophenyl)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
PubChem CID68522242
Molecular FormulaC32H31FN6O
Molecular Weight534.64 g/mol
Exact Mass534.25
IUPAC Name4-[3-[2-(4-fluorophenyl)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
SMILESCN1CCN(CCNC(=O)c2ccc(-c3ccn4c(-c5ccnc(-c6ccc(F)cc6)c5)cnc4c3)cc2)CC1
InChIInChI=1S/C32H31FN6O/c1-37-16-18-38(19-17-37)15-13-35-32(40)25-4-2-23(3-5-25)26-11-14-39-30(22-36-31(39)21-26)27-10-12-34-29(20-27)24-6-8-28(33)9-7-24/h2-12,14,20-22H,13,15-19H2,1H3,(H,35,40)
InChIKeyCMHIZLDMQPRTBW-UHFFFAOYSA-N
XLogP4.85
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.64
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[3-[2-(4-fluorophenyl)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide with MolForge

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Related Compounds

ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]benzoate
CID 25262646
3-(4-fluorophenyl)-7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridine
CID 56973461
2-(aminomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-4-carboxamide
CID 114325905
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
4-[6-(azepan-1-yl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 53149949
4-[1-(4-fluorophenyl)benzimidazol-5-yl]-N-(2-piperidin-1-ylethyl)benzamide
CID 11590339
[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid
CID 91112338
4-fluoro-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]benzamide
CID 29200089
1-ethyl-3-[3-[7-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea
CID 59321072
2-[4-(cyclopropylcarbamoyl)phenyl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 117088266
4-(2-methylbutan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 144530451
N-(2-hydroxyethyl)-2-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
CID 117093223

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(4-fluorophenyl)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 4-[3-[2-(4-fluorophenyl)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide (CID 68522242) is 4-[3-[2-(4-fluorophenyl)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-[3-[2-(4-fluorophenyl)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 4-[3-[2-(4-fluorophenyl)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide is CN1CCN(CCNC(=O)c2ccc(-c3ccn4c(-c5ccnc(-c6ccc(F)cc6)c5)cnc4c3)cc2)CC1.
What is the InChIKey of 4-[3-[2-(4-fluorophenyl)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is CMHIZLDMQPRTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31FN6O/c1-37-16-18-38(19-17-37)15-13-35-32(40)25-4-2-23(3-5-25)26-11-14-39-30(22-36-31(39)21-26)27-10-12-34-29(20-27)24-6-8-28(33)9-7-24/h2-12,14,20-22H,13,15-19H2,1H3,(H,35,40).
What are the key properties of 4-[3-[2-(4-fluorophenyl)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide?
4-[3-[2-(4-fluorophenyl)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 534.64 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(4-fluorophenyl)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 68522242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).