2-(1-methylpiperidin-4-yl)-7-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]imidazo[1,2-a]pyridine

C19H26N4 — CID 164752618

IUPAC2-(1-methylpiperidin-4-yl)-7-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]imidazo[1,2-a]pyridine
SMILESC[C@H]1CCC(c2ccn3cc(C4CCN(C)CC4)nc3c2)=NC1
InChIInChI=1S/C19H26N4/c1-14-3-4-17(20-12-14)16-7-10-23-13-18(21-19(23)11-16)15-5-8-22(2)9-6-15/h7,10-11,13-15H,3-6,8-9,12H2,1-2H3/t14-/m0/s1
InChIKeyXFDZPKJZLZQHSQ-AWEZNQCLSA-N
MW310.44 g/mol
LogP3.36
Rot. Bonds2

About 2-(1-methylpiperidin-4-yl)-7-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]imidazo[1,2-a]pyridine

2-(1-methylpiperidin-4-yl)-7-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]imidazo[1,2-a]pyridine (PubChem CID 164752618) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-7-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-7-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]imidazo[1,2-a]pyridine
PubChem CID164752618
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name2-(1-methylpiperidin-4-yl)-7-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]imidazo[1,2-a]pyridine
SMILESC[C@H]1CCC(c2ccn3cc(C4CCN(C)CC4)nc3c2)=NC1
InChIInChI=1S/C19H26N4/c1-14-3-4-17(20-12-14)16-7-10-23-13-18(21-19(23)11-16)15-5-8-22(2)9-6-15/h7,10-11,13-15H,3-6,8-9,12H2,1-2H3/t14-/m0/s1
InChIKeyXFDZPKJZLZQHSQ-AWEZNQCLSA-N
XLogP3.36
TPSA32.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-7-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-7-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]imidazo[1,2-a]pyridine (CID 164752618) is 2-(1-methylpiperidin-4-yl)-7-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-7-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-7-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]imidazo[1,2-a]pyridine is C[C@H]1CCC(c2ccn3cc(C4CCN(C)CC4)nc3c2)=NC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-7-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]imidazo[1,2-a]pyridine?
The InChIKey is XFDZPKJZLZQHSQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26N4/c1-14-3-4-17(20-12-14)16-7-10-23-13-18(21-19(23)11-16)15-5-8-22(2)9-6-15/h7,10-11,13-15H,3-6,8-9,12H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-(1-methylpiperidin-4-yl)-7-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]imidazo[1,2-a]pyridine?
2-(1-methylpiperidin-4-yl)-7-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]imidazo[1,2-a]pyridine has a molecular weight of 310.44 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-7-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 164752618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).