[2-methyl-3-(3-piperidin-1-ylphenyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone

C25H30N4O — CID 56848262

IUPAC[2-methyl-3-(3-piperidin-1-ylphenyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone
SMILESCc1nc2ccc(C(=O)N3CCCCC3)cn2c1-c1cccc(N2CCCCC2)c1
InChIInChI=1S/C25H30N4O/c1-19-24(20-9-8-10-22(17-20)27-13-4-2-5-14-27)29-18-21(11-12-23(29)26-19)25(30)28-15-6-3-7-16-28/h8-12,17-18H,2-7,13-16H2,1H3
InChIKeyDSHTVRMYEKCPHW-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.93
Rot. Bonds3

About [2-methyl-3-(3-piperidin-1-ylphenyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone

[2-methyl-3-(3-piperidin-1-ylphenyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone (PubChem CID 56848262) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is [2-methyl-3-(3-piperidin-1-ylphenyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-methyl-3-(3-piperidin-1-ylphenyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone
PubChem CID56848262
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name[2-methyl-3-(3-piperidin-1-ylphenyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone
SMILESCc1nc2ccc(C(=O)N3CCCCC3)cn2c1-c1cccc(N2CCCCC2)c1
InChIInChI=1S/C25H30N4O/c1-19-24(20-9-8-10-22(17-20)27-13-4-2-5-14-27)29-18-21(11-12-23(29)26-19)25(30)28-15-6-3-7-16-28/h8-12,17-18H,2-7,13-16H2,1H3
InChIKeyDSHTVRMYEKCPHW-UHFFFAOYSA-N
XLogP4.93
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-(3-piperidin-1-ylphenyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-methyl-3-(3-piperidin-1-ylphenyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone (CID 56848262) is [2-methyl-3-(3-piperidin-1-ylphenyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-methyl-3-(3-piperidin-1-ylphenyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-methyl-3-(3-piperidin-1-ylphenyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone is Cc1nc2ccc(C(=O)N3CCCCC3)cn2c1-c1cccc(N2CCCCC2)c1.
What is the InChIKey of [2-methyl-3-(3-piperidin-1-ylphenyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone?
The InChIKey is DSHTVRMYEKCPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-19-24(20-9-8-10-22(17-20)27-13-4-2-5-14-27)29-18-21(11-12-23(29)26-19)25(30)28-15-6-3-7-16-28/h8-12,17-18H,2-7,13-16H2,1H3.
What are the key properties of [2-methyl-3-(3-piperidin-1-ylphenyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone?
[2-methyl-3-(3-piperidin-1-ylphenyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone has a molecular weight of 402.54 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-(3-piperidin-1-ylphenyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 56848262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).