3-[(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine

C25H27N5 — CID 165419827

IUPAC3-[(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine
SMILESCNc1ncccc1CN1CCC(c2ccccc2)(c2cn3ccccc3n2)CC1
InChIInChI=1S/C25H27N5/c1-26-24-20(8-7-14-27-24)18-29-16-12-25(13-17-29,21-9-3-2-4-10-21)22-19-30-15-6-5-11-23(30)28-22/h2-11,14-15,19H,12-13,16-18H2,1H3,(H,26,27)
InChIKeyQTVSIXGAZXFWJO-UHFFFAOYSA-N
MW397.53 g/mol
LogP4.35
Rot. Bonds5

About 3-[(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine

3-[(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine (PubChem CID 165419827) has the molecular formula C25H27N5 and a molecular weight of 397.53 g/mol. Its IUPAC name is 3-[(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine
PubChem CID165419827
Molecular FormulaC25H27N5
Molecular Weight397.53 g/mol
Exact Mass397.23
IUPAC Name3-[(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine
SMILESCNc1ncccc1CN1CCC(c2ccccc2)(c2cn3ccccc3n2)CC1
InChIInChI=1S/C25H27N5/c1-26-24-20(8-7-14-27-24)18-29-16-12-25(13-17-29,21-9-3-2-4-10-21)22-19-30-15-6-5-11-23(30)28-22/h2-11,14-15,19H,12-13,16-18H2,1H3,(H,26,27)
InChIKeyQTVSIXGAZXFWJO-UHFFFAOYSA-N
XLogP4.35
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 3-[(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine (CID 165419827) is 3-[(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 3-[(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 3-[(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine is CNc1ncccc1CN1CCC(c2ccccc2)(c2cn3ccccc3n2)CC1.
What is the InChIKey of 3-[(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine?
The InChIKey is QTVSIXGAZXFWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5/c1-26-24-20(8-7-14-27-24)18-29-16-12-25(13-17-29,21-9-3-2-4-10-21)22-19-30-15-6-5-11-23(30)28-22/h2-11,14-15,19H,12-13,16-18H2,1H3,(H,26,27).
What are the key properties of 3-[(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine?
3-[(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine has a molecular weight of 397.53 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 165419827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).