4-(6-methylpyridazin-3-yl)-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one

C21H18N4O2 — CID 90207377

IUPAC4-(6-methylpyridazin-3-yl)-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one
SMILESCc1ccc(-c2ccn(-c3ccc4c5c(oc4c3)CCNC5)c(=O)c2)nn1
InChIInChI=1S/C21H18N4O2/c1-13-2-5-18(24-23-13)14-7-9-25(21(26)10-14)15-3-4-16-17-12-22-8-6-19(17)27-20(16)11-15/h2-5,7,9-11,22H,6,8,12H2,1H3
InChIKeyHLQNIZXTHOCISA-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.99
Rot. Bonds2

About 4-(6-methylpyridazin-3-yl)-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one

4-(6-methylpyridazin-3-yl)-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one (PubChem CID 90207377) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 4-(6-methylpyridazin-3-yl)-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one.

Molecular Properties

Compound Name4-(6-methylpyridazin-3-yl)-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one
PubChem CID90207377
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name4-(6-methylpyridazin-3-yl)-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one
SMILESCc1ccc(-c2ccn(-c3ccc4c5c(oc4c3)CCNC5)c(=O)c2)nn1
InChIInChI=1S/C21H18N4O2/c1-13-2-5-18(24-23-13)14-7-9-25(21(26)10-14)15-3-4-16-17-12-22-8-6-19(17)27-20(16)11-15/h2-5,7,9-11,22H,6,8,12H2,1H3
InChIKeyHLQNIZXTHOCISA-UHFFFAOYSA-N
XLogP2.99
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(6-methylpyridazin-3-yl)-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(6-methylpyridazin-3-yl)-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one?
The IUPAC name of 4-(6-methylpyridazin-3-yl)-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one (CID 90207377) is 4-(6-methylpyridazin-3-yl)-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one.
What is the SMILES notation for 4-(6-methylpyridazin-3-yl)-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one?
The canonical SMILES for 4-(6-methylpyridazin-3-yl)-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one is Cc1ccc(-c2ccn(-c3ccc4c5c(oc4c3)CCNC5)c(=O)c2)nn1.
What is the InChIKey of 4-(6-methylpyridazin-3-yl)-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one?
The InChIKey is HLQNIZXTHOCISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-13-2-5-18(24-23-13)14-7-9-25(21(26)10-14)15-3-4-16-17-12-22-8-6-19(17)27-20(16)11-15/h2-5,7,9-11,22H,6,8,12H2,1H3.
What are the key properties of 4-(6-methylpyridazin-3-yl)-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one?
4-(6-methylpyridazin-3-yl)-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one has a molecular weight of 358.40 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylpyridazin-3-yl)-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one is sourced from PubChem (CID 90207377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).