[4-[2-(5-methyl-1,2-oxazol-3-yl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methanone

C26H30N8O2 — CID 21050355

IUPAC[4-[2-(5-methyl-1,2-oxazol-3-yl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methanone
SMILESCc1cc(-c2nc3cccnc3n2C2CCN(C(=O)C3CCN(Cc4ccnnc4)CC3)CC2)no1
InChIInChI=1S/C26H30N8O2/c1-18-15-23(31-36-18)25-30-22-3-2-9-27-24(22)34(25)21-7-13-33(14-8-21)26(35)20-5-11-32(12-6-20)17-19-4-10-28-29-16-19/h2-4,9-10,15-16,20-21H,5-8,11-14,17H2,1H3
InChIKeyWKOFZCRWVYYMDS-UHFFFAOYSA-N
MW486.58 g/mol
LogP3.26
Rot. Bonds5

About [4-[2-(5-methyl-1,2-oxazol-3-yl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methanone

[4-[2-(5-methyl-1,2-oxazol-3-yl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methanone (PubChem CID 21050355) has the molecular formula C26H30N8O2 and a molecular weight of 486.58 g/mol. Its IUPAC name is [4-[2-(5-methyl-1,2-oxazol-3-yl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-[2-(5-methyl-1,2-oxazol-3-yl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methanone
PubChem CID21050355
Molecular FormulaC26H30N8O2
Molecular Weight486.58 g/mol
Exact Mass486.25
IUPAC Name[4-[2-(5-methyl-1,2-oxazol-3-yl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methanone
SMILESCc1cc(-c2nc3cccnc3n2C2CCN(C(=O)C3CCN(Cc4ccnnc4)CC3)CC2)no1
InChIInChI=1S/C26H30N8O2/c1-18-15-23(31-36-18)25-30-22-3-2-9-27-24(22)34(25)21-7-13-33(14-8-21)26(35)20-5-11-32(12-6-20)17-19-4-10-28-29-16-19/h2-4,9-10,15-16,20-21H,5-8,11-14,17H2,1H3
InChIKeyWKOFZCRWVYYMDS-UHFFFAOYSA-N
XLogP3.26
TPSA106.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [4-[2-(5-methyl-1,2-oxazol-3-yl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(5-methyl-1,2-oxazol-3-yl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methanone?
The IUPAC name of [4-[2-(5-methyl-1,2-oxazol-3-yl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methanone (CID 21050355) is [4-[2-(5-methyl-1,2-oxazol-3-yl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-[2-(5-methyl-1,2-oxazol-3-yl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methanone?
The canonical SMILES for [4-[2-(5-methyl-1,2-oxazol-3-yl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methanone is Cc1cc(-c2nc3cccnc3n2C2CCN(C(=O)C3CCN(Cc4ccnnc4)CC3)CC2)no1.
What is the InChIKey of [4-[2-(5-methyl-1,2-oxazol-3-yl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methanone?
The InChIKey is WKOFZCRWVYYMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O2/c1-18-15-23(31-36-18)25-30-22-3-2-9-27-24(22)34(25)21-7-13-33(14-8-21)26(35)20-5-11-32(12-6-20)17-19-4-10-28-29-16-19/h2-4,9-10,15-16,20-21H,5-8,11-14,17H2,1H3.
What are the key properties of [4-[2-(5-methyl-1,2-oxazol-3-yl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methanone?
[4-[2-(5-methyl-1,2-oxazol-3-yl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methanone has a molecular weight of 486.58 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(5-methyl-1,2-oxazol-3-yl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methanone is sourced from PubChem (CID 21050355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).