[4-[3-[2-(6-amino-3,4-dihydropyridin-4-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-piperazin-1-ylmethanone

C25H24N6O — CID 167112801

IUPAC[4-[3-[2-(6-amino-3,4-dihydropyridin-4-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-piperazin-1-ylmethanone
SMILESNC1=CC(C#Cc2cnc3ccc(-c4ccc(C(=O)N5CCNCC5)cc4)cn23)CC=N1
InChIInChI=1S/C25H24N6O/c26-23-15-18(9-10-28-23)1-7-22-16-29-24-8-6-21(17-31(22)24)19-2-4-20(5-3-19)25(32)30-13-11-27-12-14-30/h2-6,8,10,15-18,27H,9,11-14,26H2
InChIKeyWEKXDXNAAXQSDH-UHFFFAOYSA-N
MW424.51 g/mol
LogP2.29
Rot. Bonds2

About [4-[3-[2-(6-amino-3,4-dihydropyridin-4-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-piperazin-1-ylmethanone

[4-[3-[2-(6-amino-3,4-dihydropyridin-4-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-piperazin-1-ylmethanone (PubChem CID 167112801) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is [4-[3-[2-(6-amino-3,4-dihydropyridin-4-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4-[3-[2-(6-amino-3,4-dihydropyridin-4-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-piperazin-1-ylmethanone
PubChem CID167112801
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name[4-[3-[2-(6-amino-3,4-dihydropyridin-4-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-piperazin-1-ylmethanone
SMILESNC1=CC(C#Cc2cnc3ccc(-c4ccc(C(=O)N5CCNCC5)cc4)cn23)CC=N1
InChIInChI=1S/C25H24N6O/c26-23-15-18(9-10-28-23)1-7-22-16-29-24-8-6-21(17-31(22)24)19-2-4-20(5-3-19)25(32)30-13-11-27-12-14-30/h2-6,8,10,15-18,27H,9,11-14,26H2
InChIKeyWEKXDXNAAXQSDH-UHFFFAOYSA-N
XLogP2.29
TPSA88.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[3-[2-(6-amino-3,4-dihydropyridin-4-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [4-[3-[2-(6-amino-3,4-dihydropyridin-4-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-piperazin-1-ylmethanone (CID 167112801) is [4-[3-[2-(6-amino-3,4-dihydropyridin-4-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4-[3-[2-(6-amino-3,4-dihydropyridin-4-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [4-[3-[2-(6-amino-3,4-dihydropyridin-4-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-piperazin-1-ylmethanone is NC1=CC(C#Cc2cnc3ccc(-c4ccc(C(=O)N5CCNCC5)cc4)cn23)CC=N1.
What is the InChIKey of [4-[3-[2-(6-amino-3,4-dihydropyridin-4-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-piperazin-1-ylmethanone?
The InChIKey is WEKXDXNAAXQSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c26-23-15-18(9-10-28-23)1-7-22-16-29-24-8-6-21(17-31(22)24)19-2-4-20(5-3-19)25(32)30-13-11-27-12-14-30/h2-6,8,10,15-18,27H,9,11-14,26H2.
What are the key properties of [4-[3-[2-(6-amino-3,4-dihydropyridin-4-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-piperazin-1-ylmethanone?
[4-[3-[2-(6-amino-3,4-dihydropyridin-4-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-piperazin-1-ylmethanone has a molecular weight of 424.51 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[2-(6-amino-3,4-dihydropyridin-4-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 167112801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).