1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]propan-1-one

C25H33N7O — CID 53039725

IUPAC1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]propan-1-one
SMILESCN1CCC(N2CCN(C(=O)CCNc3c(-c4ccccc4)nc4cnccn34)CC2)CC1
InChIInChI=1S/C25H33N7O/c1-29-12-8-21(9-13-29)30-15-17-31(18-16-30)23(33)7-10-27-25-24(20-5-3-2-4-6-20)28-22-19-26-11-14-32(22)25/h2-6,11,14,19,21,27H,7-10,12-13,15-18H2,1H3
InChIKeyVWDDTOAAQRBPSI-UHFFFAOYSA-N
MW447.59 g/mol
LogP2.44
Rot. Bonds6

About 1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]propan-1-one

1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]propan-1-one (PubChem CID 53039725) has the molecular formula C25H33N7O and a molecular weight of 447.59 g/mol. Its IUPAC name is 1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]propan-1-one
PubChem CID53039725
Molecular FormulaC25H33N7O
Molecular Weight447.59 g/mol
Exact Mass447.27
IUPAC Name1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]propan-1-one
SMILESCN1CCC(N2CCN(C(=O)CCNc3c(-c4ccccc4)nc4cnccn34)CC2)CC1
InChIInChI=1S/C25H33N7O/c1-29-12-8-21(9-13-29)30-15-17-31(18-16-30)23(33)7-10-27-25-24(20-5-3-2-4-6-20)28-22-19-26-11-14-32(22)25/h2-6,11,14,19,21,27H,7-10,12-13,15-18H2,1H3
InChIKeyVWDDTOAAQRBPSI-UHFFFAOYSA-N
XLogP2.44
TPSA69.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.59
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]propan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]propan-1-one?
The IUPAC name of 1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]propan-1-one (CID 53039725) is 1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]propan-1-one.
What is the SMILES notation for 1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]propan-1-one?
The canonical SMILES for 1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]propan-1-one is CN1CCC(N2CCN(C(=O)CCNc3c(-c4ccccc4)nc4cnccn34)CC2)CC1.
What is the InChIKey of 1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]propan-1-one?
The InChIKey is VWDDTOAAQRBPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O/c1-29-12-8-21(9-13-29)30-15-17-31(18-16-30)23(33)7-10-27-25-24(20-5-3-2-4-6-20)28-22-19-26-11-14-32(22)25/h2-6,11,14,19,21,27H,7-10,12-13,15-18H2,1H3.
What are the key properties of 1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]propan-1-one?
1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]propan-1-one has a molecular weight of 447.59 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]propan-1-one is sourced from PubChem (CID 53039725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).