2-(imidazo[1,2-a]pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one

C15H15N5O — CID 63253624

IUPAC2-(imidazo[1,2-a]pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1Cc1cn3ccccc3n1)CCNC2
InChIInChI=1S/C15H15N5O/c21-15-7-11-8-16-5-4-13(11)18-20(15)10-12-9-19-6-2-1-3-14(19)17-12/h1-3,6-7,9,16H,4-5,8,10H2
InChIKeyUUKZRNWCQWRERG-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.58
Rot. Bonds2

About 2-(imidazo[1,2-a]pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one

2-(imidazo[1,2-a]pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one (PubChem CID 63253624) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-(imidazo[1,2-a]pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-(imidazo[1,2-a]pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
PubChem CID63253624
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name2-(imidazo[1,2-a]pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1Cc1cn3ccccc3n1)CCNC2
InChIInChI=1S/C15H15N5O/c21-15-7-11-8-16-5-4-13(11)18-20(15)10-12-9-19-6-2-1-3-14(19)17-12/h1-3,6-7,9,16H,4-5,8,10H2
InChIKeyUUKZRNWCQWRERG-UHFFFAOYSA-N
XLogP0.58
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one (CID 63253624) is 2-(imidazo[1,2-a]pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-(imidazo[1,2-a]pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-(imidazo[1,2-a]pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one is O=c1cc2c(nn1Cc1cn3ccccc3n1)CCNC2.
What is the InChIKey of 2-(imidazo[1,2-a]pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The InChIKey is UUKZRNWCQWRERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c21-15-7-11-8-16-5-4-13(11)18-20(15)10-12-9-19-6-2-1-3-14(19)17-12/h1-3,6-7,9,16H,4-5,8,10H2.
What are the key properties of 2-(imidazo[1,2-a]pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
2-(imidazo[1,2-a]pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one has a molecular weight of 281.32 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[1,2-a]pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 63253624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).