5-(cyclopropylmethyl)-7-fluoro-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)pyrrolo[3,2-c]pyridazin-3-one

C24H21FN6O — CID 163385261

IUPAC5-(cyclopropylmethyl)-7-fluoro-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)pyrrolo[3,2-c]pyridazin-3-one
SMILESCc1ccc(-c2c(=O)n(-c3ccc4nn(C)cc4c3)nc3c(F)cn(CC4CC4)c23)cn1
InChIInChI=1S/C24H21FN6O/c1-14-3-6-16(10-26-14)21-23-22(19(25)13-30(23)11-15-4-5-15)28-31(24(21)32)18-7-8-20-17(9-18)12-29(2)27-20/h3,6-10,12-13,15H,4-5,11H2,1-2H3
InChIKeyAMIMPOWTXHZOFI-UHFFFAOYSA-N
MW428.47 g/mol
LogP3.99
Rot. Bonds4

About 5-(cyclopropylmethyl)-7-fluoro-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)pyrrolo[3,2-c]pyridazin-3-one

5-(cyclopropylmethyl)-7-fluoro-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)pyrrolo[3,2-c]pyridazin-3-one (PubChem CID 163385261) has the molecular formula C24H21FN6O and a molecular weight of 428.47 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-7-fluoro-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)pyrrolo[3,2-c]pyridazin-3-one.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-7-fluoro-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)pyrrolo[3,2-c]pyridazin-3-one
PubChem CID163385261
Molecular FormulaC24H21FN6O
Molecular Weight428.47 g/mol
Exact Mass428.18
IUPAC Name5-(cyclopropylmethyl)-7-fluoro-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)pyrrolo[3,2-c]pyridazin-3-one
SMILESCc1ccc(-c2c(=O)n(-c3ccc4nn(C)cc4c3)nc3c(F)cn(CC4CC4)c23)cn1
InChIInChI=1S/C24H21FN6O/c1-14-3-6-16(10-26-14)21-23-22(19(25)13-30(23)11-15-4-5-15)28-31(24(21)32)18-7-8-20-17(9-18)12-29(2)27-20/h3,6-10,12-13,15H,4-5,11H2,1-2H3
InChIKeyAMIMPOWTXHZOFI-UHFFFAOYSA-N
XLogP3.99
TPSA70.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(cyclopropylmethyl)-7-fluoro-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)pyrrolo[3,2-c]pyridazin-3-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 5-(cyclopropylmethyl)-7-fluoro-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)pyrrolo[3,2-c]pyridazin-3-one?
The IUPAC name of 5-(cyclopropylmethyl)-7-fluoro-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)pyrrolo[3,2-c]pyridazin-3-one (CID 163385261) is 5-(cyclopropylmethyl)-7-fluoro-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)pyrrolo[3,2-c]pyridazin-3-one.
What is the SMILES notation for 5-(cyclopropylmethyl)-7-fluoro-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)pyrrolo[3,2-c]pyridazin-3-one?
The canonical SMILES for 5-(cyclopropylmethyl)-7-fluoro-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)pyrrolo[3,2-c]pyridazin-3-one is Cc1ccc(-c2c(=O)n(-c3ccc4nn(C)cc4c3)nc3c(F)cn(CC4CC4)c23)cn1.
What is the InChIKey of 5-(cyclopropylmethyl)-7-fluoro-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)pyrrolo[3,2-c]pyridazin-3-one?
The InChIKey is AMIMPOWTXHZOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O/c1-14-3-6-16(10-26-14)21-23-22(19(25)13-30(23)11-15-4-5-15)28-31(24(21)32)18-7-8-20-17(9-18)12-29(2)27-20/h3,6-10,12-13,15H,4-5,11H2,1-2H3.
What are the key properties of 5-(cyclopropylmethyl)-7-fluoro-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)pyrrolo[3,2-c]pyridazin-3-one?
5-(cyclopropylmethyl)-7-fluoro-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)pyrrolo[3,2-c]pyridazin-3-one has a molecular weight of 428.47 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-7-fluoro-2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)pyrrolo[3,2-c]pyridazin-3-one is sourced from PubChem (CID 163385261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).