[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]phenyl]-piperidin-1-ylmethanone

C25H25N5O — CID 53207752

IUPAC[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]phenyl]-piperidin-1-ylmethanone
SMILESCc1ccc(-c2nc3cnccn3c2Nc2ccc(C(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C25H25N5O/c1-18-5-7-19(8-6-18)23-24(30-16-13-26-17-22(30)28-23)27-21-11-9-20(10-12-21)25(31)29-14-3-2-4-15-29/h5-13,16-17,27H,2-4,14-15H2,1H3
InChIKeyGTOMDCXCWXZKNX-UHFFFAOYSA-N
MW411.51 g/mol
LogP5.07
Rot. Bonds4

About [4-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]phenyl]-piperidin-1-ylmethanone

[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]phenyl]-piperidin-1-ylmethanone (PubChem CID 53207752) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is [4-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]phenyl]-piperidin-1-ylmethanone
PubChem CID53207752
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]phenyl]-piperidin-1-ylmethanone
SMILESCc1ccc(-c2nc3cnccn3c2Nc2ccc(C(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C25H25N5O/c1-18-5-7-19(8-6-18)23-24(30-16-13-26-17-22(30)28-23)27-21-11-9-20(10-12-21)25(31)29-14-3-2-4-15-29/h5-13,16-17,27H,2-4,14-15H2,1H3
InChIKeyGTOMDCXCWXZKNX-UHFFFAOYSA-N
XLogP5.07
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid
CID 53003283
methyl 4-[3-(4-ethoxycarbonylanilino)imidazo[1,2-a]pyrazin-2-yl]benzoate
CID 53207832
N-(3,5-dimethylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 53032470
4-[3-(4-ethoxyanilino)imidazo[1,2-a]pyrazin-2-yl]benzoic acid
CID 53208276
ethyl 4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate
CID 175772540
[4-[3-[(1-imino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone
CID 89172920
[4-[3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone
CID 158883882
methyl 4-[3-(1,3-benzodioxol-5-ylamino)imidazo[1,2-a]pyrazin-2-yl]benzoate
CID 53003281
3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid
CID 53207883
3-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-morpholin-4-ylpropan-1-one
CID 53039750
3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid
CID 53003286
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]phenyl]-piperidin-1-ylmethanone (CID 53207752) is [4-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]phenyl]-piperidin-1-ylmethanone is Cc1ccc(-c2nc3cnccn3c2Nc2ccc(C(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of [4-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]phenyl]-piperidin-1-ylmethanone?
The InChIKey is GTOMDCXCWXZKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c1-18-5-7-19(8-6-18)23-24(30-16-13-26-17-22(30)28-23)27-21-11-9-20(10-12-21)25(31)29-14-3-2-4-15-29/h5-13,16-17,27H,2-4,14-15H2,1H3.
What are the key properties of [4-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]phenyl]-piperidin-1-ylmethanone?
[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]phenyl]-piperidin-1-ylmethanone has a molecular weight of 411.51 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 53207752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).