4-tert-butyl-N-[3-[1-[(4-methoxyphenyl)methyl]-4-[4-(morpholine-4-carbonyl)anilino]imidazo[4,5-c]pyridin-6-yl]-2-methylphenyl]benzamide

C43H44N6O4 — CID 164615742

IUPAC4-tert-butyl-N-[3-[1-[(4-methoxyphenyl)methyl]-4-[4-(morpholine-4-carbonyl)anilino]imidazo[4,5-c]pyridin-6-yl]-2-methylphenyl]benzamide
SMILESCOc1ccc(Cn2cnc3c(Nc4ccc(C(=O)N5CCOCC5)cc4)nc(-c4cccc(NC(=O)c5ccc(C(C)(C)C)cc5)c4C)cc32)cc1
InChIInChI=1S/C43H44N6O4/c1-28-35(7-6-8-36(28)47-41(50)30-11-15-32(16-12-30)43(2,3)4)37-25-38-39(44-27-49(38)26-29-9-19-34(52-5)20-10-29)40(46-37)45-33-17-13-31(14-18-33)42(51)48-21-23-53-24-22-48/h6-20,25,27H,21-24,26H2,1-5H3,(H,45,46)(H,47,50)
InChIKeyNULBNJZTCGRLNI-UHFFFAOYSA-N
MW708.86 g/mol
LogP8.23
Rot. Bonds9

About 4-tert-butyl-N-[3-[1-[(4-methoxyphenyl)methyl]-4-[4-(morpholine-4-carbonyl)anilino]imidazo[4,5-c]pyridin-6-yl]-2-methylphenyl]benzamide

4-tert-butyl-N-[3-[1-[(4-methoxyphenyl)methyl]-4-[4-(morpholine-4-carbonyl)anilino]imidazo[4,5-c]pyridin-6-yl]-2-methylphenyl]benzamide (PubChem CID 164615742) has the molecular formula C43H44N6O4 and a molecular weight of 708.86 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[1-[(4-methoxyphenyl)methyl]-4-[4-(morpholine-4-carbonyl)anilino]imidazo[4,5-c]pyridin-6-yl]-2-methylphenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-[1-[(4-methoxyphenyl)methyl]-4-[4-(morpholine-4-carbonyl)anilino]imidazo[4,5-c]pyridin-6-yl]-2-methylphenyl]benzamide
PubChem CID164615742
Molecular FormulaC43H44N6O4
Molecular Weight708.86 g/mol
Exact Mass708.34
IUPAC Name4-tert-butyl-N-[3-[1-[(4-methoxyphenyl)methyl]-4-[4-(morpholine-4-carbonyl)anilino]imidazo[4,5-c]pyridin-6-yl]-2-methylphenyl]benzamide
SMILESCOc1ccc(Cn2cnc3c(Nc4ccc(C(=O)N5CCOCC5)cc4)nc(-c4cccc(NC(=O)c5ccc(C(C)(C)C)cc5)c4C)cc32)cc1
InChIInChI=1S/C43H44N6O4/c1-28-35(7-6-8-36(28)47-41(50)30-11-15-32(16-12-30)43(2,3)4)37-25-38-39(44-27-49(38)26-29-9-19-34(52-5)20-10-29)40(46-37)45-33-17-13-31(14-18-33)42(51)48-21-23-53-24-22-48/h6-20,25,27H,21-24,26H2,1-5H3,(H,45,46)(H,47,50)
InChIKeyNULBNJZTCGRLNI-UHFFFAOYSA-N
XLogP8.23
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.86
LogP ≤ 58.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-tert-butyl-N-[3-[1-[(4-methoxyphenyl)methyl]-4-[4-(morpholine-4-carbonyl)anilino]imidazo[4,5-c]pyridin-6-yl]-2-methylphenyl]benzamide 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 4-tert-butyl-N-[3-[1-[(4-methoxyphenyl)methyl]-4-[4-(morpholine-4-carbonyl)anilino]imidazo[4,5-c]pyridin-6-yl]-2-methylphenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-[1-[(4-methoxyphenyl)methyl]-4-[4-(morpholine-4-carbonyl)anilino]imidazo[4,5-c]pyridin-6-yl]-2-methylphenyl]benzamide (CID 164615742) is 4-tert-butyl-N-[3-[1-[(4-methoxyphenyl)methyl]-4-[4-(morpholine-4-carbonyl)anilino]imidazo[4,5-c]pyridin-6-yl]-2-methylphenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-[1-[(4-methoxyphenyl)methyl]-4-[4-(morpholine-4-carbonyl)anilino]imidazo[4,5-c]pyridin-6-yl]-2-methylphenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-[1-[(4-methoxyphenyl)methyl]-4-[4-(morpholine-4-carbonyl)anilino]imidazo[4,5-c]pyridin-6-yl]-2-methylphenyl]benzamide is COc1ccc(Cn2cnc3c(Nc4ccc(C(=O)N5CCOCC5)cc4)nc(-c4cccc(NC(=O)c5ccc(C(C)(C)C)cc5)c4C)cc32)cc1.
What is the InChIKey of 4-tert-butyl-N-[3-[1-[(4-methoxyphenyl)methyl]-4-[4-(morpholine-4-carbonyl)anilino]imidazo[4,5-c]pyridin-6-yl]-2-methylphenyl]benzamide?
The InChIKey is NULBNJZTCGRLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H44N6O4/c1-28-35(7-6-8-36(28)47-41(50)30-11-15-32(16-12-30)43(2,3)4)37-25-38-39(44-27-49(38)26-29-9-19-34(52-5)20-10-29)40(46-37)45-33-17-13-31(14-18-33)42(51)48-21-23-53-24-22-48/h6-20,25,27H,21-24,26H2,1-5H3,(H,45,46)(H,47,50).
What are the key properties of 4-tert-butyl-N-[3-[1-[(4-methoxyphenyl)methyl]-4-[4-(morpholine-4-carbonyl)anilino]imidazo[4,5-c]pyridin-6-yl]-2-methylphenyl]benzamide?
4-tert-butyl-N-[3-[1-[(4-methoxyphenyl)methyl]-4-[4-(morpholine-4-carbonyl)anilino]imidazo[4,5-c]pyridin-6-yl]-2-methylphenyl]benzamide has a molecular weight of 708.86 g/mol, XLogP of 8.23, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-[1-[(4-methoxyphenyl)methyl]-4-[4-(morpholine-4-carbonyl)anilino]imidazo[4,5-c]pyridin-6-yl]-2-methylphenyl]benzamide is sourced from PubChem (CID 164615742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).