[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone

C24H31N7O — CID 112816261

IUPAC[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone
SMILESCc1ccn2c(CN3CCN(C(=O)C4CCN(c5cnccn5)CC4)CC3)c(C)nc2c1
InChIInChI=1S/C24H31N7O/c1-18-3-10-31-21(19(2)27-22(31)15-18)17-28-11-13-30(14-12-28)24(32)20-4-8-29(9-5-20)23-16-25-6-7-26-23/h3,6-7,10,15-16,20H,4-5,8-9,11-14,17H2,1-2H3
InChIKeyBKNDGCUCMZTHBL-UHFFFAOYSA-N
MW433.56 g/mol
LogP2.30
Rot. Bonds4

About [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone

[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone (PubChem CID 112816261) has the molecular formula C24H31N7O and a molecular weight of 433.56 g/mol. Its IUPAC name is [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone
PubChem CID112816261
Molecular FormulaC24H31N7O
Molecular Weight433.56 g/mol
Exact Mass433.26
IUPAC Name[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone
SMILESCc1ccn2c(CN3CCN(C(=O)C4CCN(c5cnccn5)CC4)CC3)c(C)nc2c1
InChIInChI=1S/C24H31N7O/c1-18-3-10-31-21(19(2)27-22(31)15-18)17-28-11-13-30(14-12-28)24(32)20-4-8-29(9-5-20)23-16-25-6-7-26-23/h3,6-7,10,15-16,20H,4-5,8-9,11-14,17H2,1-2H3
InChIKeyBKNDGCUCMZTHBL-UHFFFAOYSA-N
XLogP2.30
TPSA69.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 112816808
1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one
CID 112806577
1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 112770917
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methanone
CID 112822593
azepan-1-yl-[7-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 31044096
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 112808205
azepan-1-yl-[7-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 56877917
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone
CID 112770907
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone
CID 112770934
[1-(2-methylbenzoyl)piperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 18133999
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[1-(4-fluorophenyl)pyrazol-3-yl]methanone
CID 112822053
(3,4-dimethoxy-5-prop-2-enylphenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone
CID 112802586

Frequently Asked Questions

What is the IUPAC name of [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone?
The IUPAC name of [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone (CID 112816261) is [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone.
What is the SMILES notation for [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone?
The canonical SMILES for [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone is Cc1ccn2c(CN3CCN(C(=O)C4CCN(c5cnccn5)CC4)CC3)c(C)nc2c1.
What is the InChIKey of [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone?
The InChIKey is BKNDGCUCMZTHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O/c1-18-3-10-31-21(19(2)27-22(31)15-18)17-28-11-13-30(14-12-28)24(32)20-4-8-29(9-5-20)23-16-25-6-7-26-23/h3,6-7,10,15-16,20H,4-5,8-9,11-14,17H2,1-2H3.
What are the key properties of [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone?
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone has a molecular weight of 433.56 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 112816261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).