[3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone

C25H31N5O2 — CID 87051638

IUPAC[3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
SMILESCOc1ccc(-c2c(C(=O)N3CCN(C4CCN(C)CC4)CC3)nc3ccccn23)cc1
InChIInChI=1S/C25H31N5O2/c1-27-13-10-20(11-14-27)28-15-17-29(18-16-28)25(31)23-24(19-6-8-21(32-2)9-7-19)30-12-4-3-5-22(30)26-23/h3-9,12,20H,10-11,13-18H2,1-2H3
InChIKeyNHGQEMKFANYLAP-UHFFFAOYSA-N
MW433.56 g/mol
LogP2.86
Rot. Bonds4

About [3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone

[3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone (PubChem CID 87051638) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
PubChem CID87051638
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name[3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
SMILESCOc1ccc(-c2c(C(=O)N3CCN(C4CCN(C)CC4)CC3)nc3ccccn23)cc1
InChIInChI=1S/C25H31N5O2/c1-27-13-10-20(11-14-27)28-15-17-29(18-16-28)25(31)23-24(19-6-8-21(32-2)9-7-19)30-12-4-3-5-22(30)26-23/h3-9,12,20H,10-11,13-18H2,1-2H3
InChIKeyNHGQEMKFANYLAP-UHFFFAOYSA-N
XLogP2.86
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of [3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone (CID 87051638) is [3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone is COc1ccc(-c2c(C(=O)N3CCN(C4CCN(C)CC4)CC3)nc3ccccn23)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is NHGQEMKFANYLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-27-13-10-20(11-14-27)28-15-17-29(18-16-28)25(31)23-24(19-6-8-21(32-2)9-7-19)30-12-4-3-5-22(30)26-23/h3-9,12,20H,10-11,13-18H2,1-2H3.
What are the key properties of [3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone?
[3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 433.56 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 87051638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).