7-tert-butyl-3-[3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]quinazolin-4-one

C35H33N7O3 — CID 59151204

IUPAC7-tert-butyl-3-[3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]quinazolin-4-one
SMILESCC(C)(C)c1ccc2c(=O)n(-c3cccc(-c4cn5ccnc5c(Nc5ccc(C(=O)N6CCOCC6)cc5)n4)c3)cnc2c1
InChIInChI=1S/C35H33N7O3/c1-35(2,3)25-9-12-28-29(20-25)37-22-42(34(28)44)27-6-4-5-24(19-27)30-21-41-14-13-36-32(41)31(39-30)38-26-10-7-23(8-11-26)33(43)40-15-17-45-18-16-40/h4-14,19-22H,15-18H2,1-3H3,(H,38,39)
InChIKeyJPDFMQSEBUBLMP-UHFFFAOYSA-N
MW599.70 g/mol
LogP5.61
Rot. Bonds5

About 7-tert-butyl-3-[3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]quinazolin-4-one

7-tert-butyl-3-[3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]quinazolin-4-one (PubChem CID 59151204) has the molecular formula C35H33N7O3 and a molecular weight of 599.70 g/mol. Its IUPAC name is 7-tert-butyl-3-[3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]quinazolin-4-one.

Molecular Properties

Compound Name7-tert-butyl-3-[3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]quinazolin-4-one
PubChem CID59151204
Molecular FormulaC35H33N7O3
Molecular Weight599.70 g/mol
Exact Mass599.26
IUPAC Name7-tert-butyl-3-[3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]quinazolin-4-one
SMILESCC(C)(C)c1ccc2c(=O)n(-c3cccc(-c4cn5ccnc5c(Nc5ccc(C(=O)N6CCOCC6)cc5)n4)c3)cnc2c1
InChIInChI=1S/C35H33N7O3/c1-35(2,3)25-9-12-28-29(20-25)37-22-42(34(28)44)27-6-4-5-24(19-27)30-21-41-14-13-36-32(41)31(39-30)38-26-10-7-23(8-11-26)33(43)40-15-17-45-18-16-40/h4-14,19-22H,15-18H2,1-3H3,(H,38,39)
InChIKeyJPDFMQSEBUBLMP-UHFFFAOYSA-N
XLogP5.61
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.70
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-tert-butyl-N-[3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 11541211
[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-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 11714059
4-[[3-[8-(4-tert-butylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]carbamoyl]benzoic acid
CID 90656833
N-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-4-tert-butylbenzamide
CID 11397050
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-[3-[8-(4-carbamoylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 59754735
4-tert-butyl-N-[3-[8-[4-(hydroxymethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 11612889
[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-6-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]methyl acetate
CID 86686839
4-tert-butyl-N-[3-[8-[4-[(3R)-3-methylpiperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 59754738
tert-butyl 4-[4-[[6-[3-[2-(4-tert-butylphenyl)-2-oxoethyl]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]piperazine-1-carboxylate
CID 58351712
[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

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-3-[3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]quinazolin-4-one?
The IUPAC name of 7-tert-butyl-3-[3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]quinazolin-4-one (CID 59151204) is 7-tert-butyl-3-[3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]quinazolin-4-one.
What is the SMILES notation for 7-tert-butyl-3-[3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]quinazolin-4-one?
The canonical SMILES for 7-tert-butyl-3-[3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]quinazolin-4-one is CC(C)(C)c1ccc2c(=O)n(-c3cccc(-c4cn5ccnc5c(Nc5ccc(C(=O)N6CCOCC6)cc5)n4)c3)cnc2c1.
What is the InChIKey of 7-tert-butyl-3-[3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]quinazolin-4-one?
The InChIKey is JPDFMQSEBUBLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33N7O3/c1-35(2,3)25-9-12-28-29(20-25)37-22-42(34(28)44)27-6-4-5-24(19-27)30-21-41-14-13-36-32(41)31(39-30)38-26-10-7-23(8-11-26)33(43)40-15-17-45-18-16-40/h4-14,19-22H,15-18H2,1-3H3,(H,38,39).
What are the key properties of 7-tert-butyl-3-[3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]quinazolin-4-one?
7-tert-butyl-3-[3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]quinazolin-4-one has a molecular weight of 599.70 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-3-[3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]quinazolin-4-one is sourced from PubChem (CID 59151204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).