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

C35H36N6O3 — CID 90656044

IUPAC4-tert-butyl-N-[3-[1-methyl-4-[4-(morpholine-4-carbonyl)anilino]imidazo[4,5-c]pyridin-6-yl]phenyl]benzamide
SMILESCn1cnc2c(Nc3ccc(C(=O)N4CCOCC4)cc3)nc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)cc21
InChIInChI=1S/C35H36N6O3/c1-35(2,3)26-12-8-23(9-13-26)33(42)38-28-7-5-6-25(20-28)29-21-30-31(36-22-40(30)4)32(39-29)37-27-14-10-24(11-15-27)34(43)41-16-18-44-19-17-41/h5-15,20-22H,16-19H2,1-4H3,(H,37,39)(H,38,42)
InChIKeyNXWJGADHFZMICP-UHFFFAOYSA-N
MW588.71 g/mol
LogP6.40
Rot. Bonds6

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

4-tert-butyl-N-[3-[1-methyl-4-[4-(morpholine-4-carbonyl)anilino]imidazo[4,5-c]pyridin-6-yl]phenyl]benzamide (PubChem CID 90656044) has the molecular formula C35H36N6O3 and a molecular weight of 588.71 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[1-methyl-4-[4-(morpholine-4-carbonyl)anilino]imidazo[4,5-c]pyridin-6-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-[1-methyl-4-[4-(morpholine-4-carbonyl)anilino]imidazo[4,5-c]pyridin-6-yl]phenyl]benzamide
PubChem CID90656044
Molecular FormulaC35H36N6O3
Molecular Weight588.71 g/mol
Exact Mass588.28
IUPAC Name4-tert-butyl-N-[3-[1-methyl-4-[4-(morpholine-4-carbonyl)anilino]imidazo[4,5-c]pyridin-6-yl]phenyl]benzamide
SMILESCn1cnc2c(Nc3ccc(C(=O)N4CCOCC4)cc3)nc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)cc21
InChIInChI=1S/C35H36N6O3/c1-35(2,3)26-12-8-23(9-13-26)33(42)38-28-7-5-6-25(20-28)29-21-30-31(36-22-40(30)4)32(39-29)37-27-14-10-24(11-15-27)34(43)41-16-18-44-19-17-41/h5-15,20-22H,16-19H2,1-4H3,(H,37,39)(H,38,42)
InChIKeyNXWJGADHFZMICP-UHFFFAOYSA-N
XLogP6.40
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.71
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[1-methyl-4-[4-(morpholine-4-carbonyl)anilino]imidazo[4,5-c]pyridin-6-yl]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-[1-methyl-4-[4-(morpholine-4-carbonyl)anilino]imidazo[4,5-c]pyridin-6-yl]phenyl]benzamide (CID 90656044) is 4-tert-butyl-N-[3-[1-methyl-4-[4-(morpholine-4-carbonyl)anilino]imidazo[4,5-c]pyridin-6-yl]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-[1-methyl-4-[4-(morpholine-4-carbonyl)anilino]imidazo[4,5-c]pyridin-6-yl]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-[1-methyl-4-[4-(morpholine-4-carbonyl)anilino]imidazo[4,5-c]pyridin-6-yl]phenyl]benzamide is Cn1cnc2c(Nc3ccc(C(=O)N4CCOCC4)cc3)nc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)cc21.
What is the InChIKey of 4-tert-butyl-N-[3-[1-methyl-4-[4-(morpholine-4-carbonyl)anilino]imidazo[4,5-c]pyridin-6-yl]phenyl]benzamide?
The InChIKey is NXWJGADHFZMICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N6O3/c1-35(2,3)26-12-8-23(9-13-26)33(42)38-28-7-5-6-25(20-28)29-21-30-31(36-22-40(30)4)32(39-29)37-27-14-10-24(11-15-27)34(43)41-16-18-44-19-17-41/h5-15,20-22H,16-19H2,1-4H3,(H,37,39)(H,38,42).
What are the key properties of 4-tert-butyl-N-[3-[1-methyl-4-[4-(morpholine-4-carbonyl)anilino]imidazo[4,5-c]pyridin-6-yl]phenyl]benzamide?
4-tert-butyl-N-[3-[1-methyl-4-[4-(morpholine-4-carbonyl)anilino]imidazo[4,5-c]pyridin-6-yl]phenyl]benzamide has a molecular weight of 588.71 g/mol, XLogP of 6.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-[1-methyl-4-[4-(morpholine-4-carbonyl)anilino]imidazo[4,5-c]pyridin-6-yl]phenyl]benzamide is sourced from PubChem (CID 90656044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).