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

C35H36N6O3 — CID 11714059

IUPAC4-tert-butyl-N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
SMILESCc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cn2ccnc2c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C35H36N6O3/c1-23-28(6-5-7-29(23)39-33(42)24-8-12-26(13-9-24)35(2,3)4)30-22-41-17-16-36-32(41)31(38-30)37-27-14-10-25(11-15-27)34(43)40-18-20-44-21-19-40/h5-17,22H,18-21H2,1-4H3,(H,37,38)(H,39,42)
InChIKeyCSMKDSVIQWLGFO-UHFFFAOYSA-N
MW588.71 g/mol
LogP6.47
Rot. Bonds6

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

4-tert-butyl-N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide (PubChem CID 11714059) has the molecular formula C35H36N6O3 and a molecular weight of 588.71 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
PubChem CID11714059
Molecular FormulaC35H36N6O3
Molecular Weight588.71 g/mol
Exact Mass588.28
IUPAC Name4-tert-butyl-N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
SMILESCc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cn2ccnc2c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C35H36N6O3/c1-23-28(6-5-7-29(23)39-33(42)24-8-12-26(13-9-24)35(2,3)4)30-22-41-17-16-36-32(41)31(38-30)37-27-14-10-25(11-15-27)34(43)40-18-20-44-21-19-40/h5-17,22H,18-21H2,1-4H3,(H,37,38)(H,39,42)
InChIKeyCSMKDSVIQWLGFO-UHFFFAOYSA-N
XLogP6.47
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.71
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[[6-[1-(4-tert-butylbenzoyl)indol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 78320014
4-tert-butyl-N-[2-methyl-3-[4-methyl-6-[4-(1,4-oxazepane-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide
CID 66895059
4-(2-hydroxypropan-2-yl)-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide
CID 11851477
(4Z)-4-[(Z)-but-2-enylidene]-5-methylidene-N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-1H-pyrrole-3-carboxamide
CID 143229964
6-tert-butyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]pyridine-3-carboxamide
CID 11852095
N-[2-methyl-3-[8-[4-(morpholin-4-ylmethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]pyridine-3-carboxamide
CID 68933186
4-tert-butyl-N-[3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 11541211
4-tert-butyl-N-[2-methyl-5-[8-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 11606928
4-tert-butyl-N-[2-methyl-3-[4-methyl-6-[4-(1,3-oxazinane-3-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide
CID 126668115
[4-[[6-[1-(6-methylpyridine-3-carbonyl)-2,3-dihydroindol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 78320959
[2-[3-[(4-tert-butylbenzoyl)amino]-2-methylphenyl]-4-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a][1,3,5]triazin-7-yl]carbamic acid
CID 67159743
4-(azepan-1-yl)-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide
CID 66895717

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]pyrazin-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]pyrazin-6-yl]phenyl]benzamide (CID 11714059) is 4-tert-butyl-N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-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]pyrazin-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]pyrazin-6-yl]phenyl]benzamide is Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cn2ccnc2c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1.
What is the InChIKey of 4-tert-butyl-N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide?
The InChIKey is CSMKDSVIQWLGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N6O3/c1-23-28(6-5-7-29(23)39-33(42)24-8-12-26(13-9-24)35(2,3)4)30-22-41-17-16-36-32(41)31(38-30)37-27-14-10-25(11-15-27)34(43)40-18-20-44-21-19-40/h5-17,22H,18-21H2,1-4H3,(H,37,38)(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]pyrazin-6-yl]phenyl]benzamide?
4-tert-butyl-N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide has a molecular weight of 588.71 g/mol, XLogP of 6.47, 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-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide is sourced from PubChem (CID 11714059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).