3-methylidene-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(3E)-penta-1,3-dien-3-yl]imidazo[1,5-a]pyridine

C20H27N3 — CID 166080070

IUPAC3-methylidene-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(3E)-penta-1,3-dien-3-yl]imidazo[1,5-a]pyridine
SMILESC=C/C(=C\C)N1C=C2C=CC(CN3CCC[C@H](C)C3)=CN2C1=C
InChIInChI=1S/C20H27N3/c1-5-19(6-2)23-15-20-10-9-18(14-22(20)17(23)4)13-21-11-7-8-16(3)12-21/h5-6,9-10,14-16H,1,4,7-8,11-13H2,2-3H3/b19-6+/t16-/m0/s1
InChIKeyNPJWUKMAFGELOZ-CBSBVUDCSA-N
MW309.46 g/mol
LogP4.19
Rot. Bonds4

About 3-methylidene-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(3E)-penta-1,3-dien-3-yl]imidazo[1,5-a]pyridine

3-methylidene-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(3E)-penta-1,3-dien-3-yl]imidazo[1,5-a]pyridine (PubChem CID 166080070) has the molecular formula C20H27N3 and a molecular weight of 309.46 g/mol. Its IUPAC name is 3-methylidene-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(3E)-penta-1,3-dien-3-yl]imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-methylidene-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(3E)-penta-1,3-dien-3-yl]imidazo[1,5-a]pyridine
PubChem CID166080070
Molecular FormulaC20H27N3
Molecular Weight309.46 g/mol
Exact Mass309.22
IUPAC Name3-methylidene-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(3E)-penta-1,3-dien-3-yl]imidazo[1,5-a]pyridine
SMILESC=C/C(=C\C)N1C=C2C=CC(CN3CCC[C@H](C)C3)=CN2C1=C
InChIInChI=1S/C20H27N3/c1-5-19(6-2)23-15-20-10-9-18(14-22(20)17(23)4)13-21-11-7-8-16(3)12-21/h5-6,9-10,14-16H,1,4,7-8,11-13H2,2-3H3/b19-6+/t16-/m0/s1
InChIKeyNPJWUKMAFGELOZ-CBSBVUDCSA-N
XLogP4.19
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(3E)-penta-1,3-dien-3-yl]imidazo[1,5-a]pyridine?
The IUPAC name of 3-methylidene-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(3E)-penta-1,3-dien-3-yl]imidazo[1,5-a]pyridine (CID 166080070) is 3-methylidene-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(3E)-penta-1,3-dien-3-yl]imidazo[1,5-a]pyridine.
What is the SMILES notation for 3-methylidene-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(3E)-penta-1,3-dien-3-yl]imidazo[1,5-a]pyridine?
The canonical SMILES for 3-methylidene-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(3E)-penta-1,3-dien-3-yl]imidazo[1,5-a]pyridine is C=C/C(=C\C)N1C=C2C=CC(CN3CCC[C@H](C)C3)=CN2C1=C.
What is the InChIKey of 3-methylidene-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(3E)-penta-1,3-dien-3-yl]imidazo[1,5-a]pyridine?
The InChIKey is NPJWUKMAFGELOZ-CBSBVUDCSA-N. The full InChI is InChI=1S/C20H27N3/c1-5-19(6-2)23-15-20-10-9-18(14-22(20)17(23)4)13-21-11-7-8-16(3)12-21/h5-6,9-10,14-16H,1,4,7-8,11-13H2,2-3H3/b19-6+/t16-/m0/s1.
What are the key properties of 3-methylidene-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(3E)-penta-1,3-dien-3-yl]imidazo[1,5-a]pyridine?
3-methylidene-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(3E)-penta-1,3-dien-3-yl]imidazo[1,5-a]pyridine has a molecular weight of 309.46 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(3E)-penta-1,3-dien-3-yl]imidazo[1,5-a]pyridine is sourced from PubChem (CID 166080070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).