3-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]-N-phenylbenzamide

C33H32N6O2 — CID 67972903

IUPAC3-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]-N-phenylbenzamide
SMILESCC(C)CNc1nc(-c2cccc(C(=O)Nc3ccccc3)c2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C33H32N6O2/c1-21(2)18-34-30-31-35-19-29(22-11-13-23(14-12-22)32(40)37-27-15-16-27)39(31)20-28(38-30)24-7-6-8-25(17-24)33(41)36-26-9-4-3-5-10-26/h3-14,17,19-21,27H,15-16,18H2,1-2H3,(H,34,38)(H,36,41)(H,37,40)
InChIKeyGOPTXKRMXJJZOW-UHFFFAOYSA-N
MW544.66 g/mol
LogP6.28
Rot. Bonds9

About 3-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]-N-phenylbenzamide

3-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]-N-phenylbenzamide (PubChem CID 67972903) has the molecular formula C33H32N6O2 and a molecular weight of 544.66 g/mol. Its IUPAC name is 3-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]-N-phenylbenzamide.

Molecular Properties

Compound Name3-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]-N-phenylbenzamide
PubChem CID67972903
Molecular FormulaC33H32N6O2
Molecular Weight544.66 g/mol
Exact Mass544.26
IUPAC Name3-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]-N-phenylbenzamide
SMILESCC(C)CNc1nc(-c2cccc(C(=O)Nc3ccccc3)c2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C33H32N6O2/c1-21(2)18-34-30-31-35-19-29(22-11-13-23(14-12-22)32(40)37-27-15-16-27)39(31)20-28(38-30)24-7-6-8-25(17-24)33(41)36-26-9-4-3-5-10-26/h3-14,17,19-21,27H,15-16,18H2,1-2H3,(H,34,38)(H,36,41)(H,37,40)
InChIKeyGOPTXKRMXJJZOW-UHFFFAOYSA-N
XLogP6.28
TPSA100.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.66
LogP ≤ 56.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]-N-phenylbenzamide 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-[6-[3-(anilinomethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
CID 123258800
2-[3-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]phenyl]acetic acid
CID 57382783
N-cyclopropyl-4-[8-(2-methylpropylamino)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57382318
N-cyclopropyl-4-[6-[3-(methoxymethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57406684
4-[8-(2-aminopropylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
CID 67973384
2-chloro-N-cyclopropyl-4-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]benzamide
CID 90256484
N-cyclopropyl-4-[6-[2-(hydroxymethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67976869
N-cyclopropyl-4-[6-(4-ethenylphenyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57407262
4-[6-(1-benzofuran-2-yl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
CID 57383166
N-cyclopropyl-4-[8-(2-methoxybutylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 90256676
N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67973429
N-cyclopropyl-4-[8-(2-methylpropylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 53389614

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]-N-phenylbenzamide?
The IUPAC name of 3-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]-N-phenylbenzamide (CID 67972903) is 3-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]-N-phenylbenzamide.
What is the SMILES notation for 3-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]-N-phenylbenzamide?
The canonical SMILES for 3-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]-N-phenylbenzamide is CC(C)CNc1nc(-c2cccc(C(=O)Nc3ccccc3)c2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12.
What is the InChIKey of 3-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]-N-phenylbenzamide?
The InChIKey is GOPTXKRMXJJZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N6O2/c1-21(2)18-34-30-31-35-19-29(22-11-13-23(14-12-22)32(40)37-27-15-16-27)39(31)20-28(38-30)24-7-6-8-25(17-24)33(41)36-26-9-4-3-5-10-26/h3-14,17,19-21,27H,15-16,18H2,1-2H3,(H,34,38)(H,36,41)(H,37,40).
What are the key properties of 3-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]-N-phenylbenzamide?
3-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]-N-phenylbenzamide has a molecular weight of 544.66 g/mol, XLogP of 6.28, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]-N-phenylbenzamide is sourced from PubChem (CID 67972903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).