3-methyl-1-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]imidazo[1,5-a]pyridine

C20H24N4O — CID 56905474

IUPAC3-methyl-1-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]imidazo[1,5-a]pyridine
SMILESCc1nc(CN2CCC(OCc3cccnc3)CC2)c2ccccn12
InChIInChI=1S/C20H24N4O/c1-16-22-19(20-6-2-3-10-24(16)20)14-23-11-7-18(8-12-23)25-15-17-5-4-9-21-13-17/h2-6,9-10,13,18H,7-8,11-12,14-15H2,1H3
InChIKeyRWKKVAJPBVQILL-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.22
Rot. Bonds5

About 3-methyl-1-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]imidazo[1,5-a]pyridine

3-methyl-1-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]imidazo[1,5-a]pyridine (PubChem CID 56905474) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-methyl-1-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-methyl-1-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]imidazo[1,5-a]pyridine
PubChem CID56905474
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name3-methyl-1-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]imidazo[1,5-a]pyridine
SMILESCc1nc(CN2CCC(OCc3cccnc3)CC2)c2ccccn12
InChIInChI=1S/C20H24N4O/c1-16-22-19(20-6-2-3-10-24(16)20)14-23-11-7-18(8-12-23)25-15-17-5-4-9-21-13-17/h2-6,9-10,13,18H,7-8,11-12,14-15H2,1H3
InChIKeyRWKKVAJPBVQILL-UHFFFAOYSA-N
XLogP3.22
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]imidazo[1,5-a]pyridine?
The IUPAC name of 3-methyl-1-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]imidazo[1,5-a]pyridine (CID 56905474) is 3-methyl-1-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]imidazo[1,5-a]pyridine.
What is the SMILES notation for 3-methyl-1-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]imidazo[1,5-a]pyridine?
The canonical SMILES for 3-methyl-1-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]imidazo[1,5-a]pyridine is Cc1nc(CN2CCC(OCc3cccnc3)CC2)c2ccccn12.
What is the InChIKey of 3-methyl-1-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]imidazo[1,5-a]pyridine?
The InChIKey is RWKKVAJPBVQILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-16-22-19(20-6-2-3-10-24(16)20)14-23-11-7-18(8-12-23)25-15-17-5-4-9-21-13-17/h2-6,9-10,13,18H,7-8,11-12,14-15H2,1H3.
What are the key properties of 3-methyl-1-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]imidazo[1,5-a]pyridine?
3-methyl-1-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]imidazo[1,5-a]pyridine has a molecular weight of 336.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]imidazo[1,5-a]pyridine is sourced from PubChem (CID 56905474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).