4-tert-butyl-N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyridin-6-yl]phenyl]benzamide

C36H37N5O3 — CID 90656049

IUPAC4-tert-butyl-N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyridin-6-yl]phenyl]benzamide
SMILESCc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)cc2)c2nccn2c1
InChIInChI=1S/C36H37N5O3/c1-24-30(6-5-7-31(24)39-34(42)25-8-12-28(13-9-25)36(2,3)4)27-22-32(33-37-16-17-41(33)23-27)38-29-14-10-26(11-15-29)35(43)40-18-20-44-21-19-40/h5-17,22-23,38H,18-21H2,1-4H3,(H,39,42)
InChIKeyLIJJJHHMOOLXNM-UHFFFAOYSA-N
MW587.72 g/mol
LogP7.08
Rot. Bonds6

About 4-tert-butyl-N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyridin-6-yl]phenyl]benzamide

4-tert-butyl-N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyridin-6-yl]phenyl]benzamide (PubChem CID 90656049) has the molecular formula C36H37N5O3 and a molecular weight of 587.72 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyridin-6-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyridin-6-yl]phenyl]benzamide
PubChem CID90656049
Molecular FormulaC36H37N5O3
Molecular Weight587.72 g/mol
Exact Mass587.29
IUPAC Name4-tert-butyl-N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyridin-6-yl]phenyl]benzamide
SMILESCc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)cc2)c2nccn2c1
InChIInChI=1S/C36H37N5O3/c1-24-30(6-5-7-31(24)39-34(42)25-8-12-28(13-9-25)36(2,3)4)27-22-32(33-37-16-17-41(33)23-27)38-29-14-10-26(11-15-29)35(43)40-18-20-44-21-19-40/h5-17,22-23,38H,18-21H2,1-4H3,(H,39,42)
InChIKeyLIJJJHHMOOLXNM-UHFFFAOYSA-N
XLogP7.08
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.72
LogP ≤ 57.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-tert-butyl-N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyridin-6-yl]phenyl]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-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyridin-6-yl]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyridin-6-yl]phenyl]benzamide (CID 90656049) is 4-tert-butyl-N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyridin-6-yl]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyridin-6-yl]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyridin-6-yl]phenyl]benzamide is Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)cc2)c2nccn2c1.
What is the InChIKey of 4-tert-butyl-N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyridin-6-yl]phenyl]benzamide?
The InChIKey is LIJJJHHMOOLXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37N5O3/c1-24-30(6-5-7-31(24)39-34(42)25-8-12-28(13-9-25)36(2,3)4)27-22-32(33-37-16-17-41(33)23-27)38-29-14-10-26(11-15-29)35(43)40-18-20-44-21-19-40/h5-17,22-23,38H,18-21H2,1-4H3,(H,39,42).
What are the key properties of 4-tert-butyl-N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyridin-6-yl]phenyl]benzamide?
4-tert-butyl-N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyridin-6-yl]phenyl]benzamide has a molecular weight of 587.72 g/mol, XLogP of 7.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyridin-6-yl]phenyl]benzamide is sourced from PubChem (CID 90656049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).