(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

C34H33N7O3 — CID 143229964

IUPAC(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
SMILESC=c1[nH]cc(C(=O)Nc2cccc(-c3cn4ccnc4c(Nc4ccc(C(=O)N5CCOCC5)cc4)n3)c2C)/c1=C/C=C\C
InChIInChI=1S/C34H33N7O3/c1-4-5-7-27-23(3)36-20-28(27)33(42)39-29-9-6-8-26(22(29)2)30-21-41-15-14-35-32(41)31(38-30)37-25-12-10-24(11-13-25)34(43)40-16-18-44-19-17-40/h4-15,20-21,36H,3,16-19H2,1-2H3,(H,37,38)(H,39,42)/b5-4-,27-7+
InChIKeyIZSWPVUTOHTWFS-LFUQMEKQSA-N
MW587.68 g/mol
LogP4.27
Rot. Bonds7

About (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

(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 (PubChem CID 143229964) has the molecular formula C34H33N7O3 and a molecular weight of 587.68 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID143229964
Molecular FormulaC34H33N7O3
Molecular Weight587.68 g/mol
Exact Mass587.26
IUPAC Name(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
SMILESC=c1[nH]cc(C(=O)Nc2cccc(-c3cn4ccnc4c(Nc4ccc(C(=O)N5CCOCC5)cc4)n3)c2C)/c1=C/C=C\C
InChIInChI=1S/C34H33N7O3/c1-4-5-7-27-23(3)36-20-28(27)33(42)39-29-9-6-8-26(22(29)2)30-21-41-15-14-35-32(41)31(38-30)37-25-12-10-24(11-13-25)34(43)40-16-18-44-19-17-40/h4-15,20-21,36H,3,16-19H2,1-2H3,(H,37,38)(H,39,42)/b5-4-,27-7+
InChIKeyIZSWPVUTOHTWFS-LFUQMEKQSA-N
XLogP4.27
TPSA116.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.68
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 11714059
N-[2-methyl-3-[8-[4-(morpholin-4-ylmethyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]pyridine-3-carboxamide
CID 68933186
[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
[4-[[6-[1-(4-tert-butylbenzoyl)indol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 78320014
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
4-(azepan-1-yl)-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide
CID 66895717
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
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
N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-4-[methyl(propan-2-yl)amino]benzamide
CID 58729055
N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide
CID 118728348
2-butyl-N-[3-[8-[4-(N,N'-dimethylcarbamimidoyl)anilino]imidazo[1,2-a]pyrazin-6-yl]-2-methylphenyl]benzamide
CID 118071911
6-(3-amino-2-methylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 58688031

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=c1[nH]cc(C(=O)Nc2cccc(-c3cn4ccnc4c(Nc4ccc(C(=O)N5CCOCC5)cc4)n3)c2C)/c1=C/C=C\C.
What is the InChIKey of (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?
The InChIKey is IZSWPVUTOHTWFS-LFUQMEKQSA-N. The full InChI is InChI=1S/C34H33N7O3/c1-4-5-7-27-23(3)36-20-28(27)33(42)39-29-9-6-8-26(22(29)2)30-21-41-15-14-35-32(41)31(38-30)37-25-12-10-24(11-13-25)34(43)40-16-18-44-19-17-40/h4-15,20-21,36H,3,16-19H2,1-2H3,(H,37,38)(H,39,42)/b5-4-,27-7+.
What are the key properties of (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?
(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 has a molecular weight of 587.68 g/mol, XLogP of 4.27, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 143229964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).