2-(2-methylpropyl)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phthalazin-1-one

C19H21N5O2 — CID 86859583

IUPAC2-(2-methylpropyl)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phthalazin-1-one
SMILESCC(C)Cn1nc(C(=O)N2CCc3[nH]ncc3C2)c2ccccc2c1=O
InChIInChI=1S/C19H21N5O2/c1-12(2)10-24-18(25)15-6-4-3-5-14(15)17(22-24)19(26)23-8-7-16-13(11-23)9-20-21-16/h3-6,9,12H,7-8,10-11H2,1-2H3,(H,20,21)
InChIKeySGIRHWYJIZBSRV-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.97
Rot. Bonds3

About 2-(2-methylpropyl)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phthalazin-1-one

2-(2-methylpropyl)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phthalazin-1-one (PubChem CID 86859583) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(2-methylpropyl)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phthalazin-1-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phthalazin-1-one
PubChem CID86859583
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-(2-methylpropyl)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phthalazin-1-one
SMILESCC(C)Cn1nc(C(=O)N2CCc3[nH]ncc3C2)c2ccccc2c1=O
InChIInChI=1S/C19H21N5O2/c1-12(2)10-24-18(25)15-6-4-3-5-14(15)17(22-24)19(26)23-8-7-16-13(11-23)9-20-21-16/h3-6,9,12H,7-8,10-11H2,1-2H3,(H,20,21)
InChIKeySGIRHWYJIZBSRV-UHFFFAOYSA-N
XLogP1.97
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-methylpropyl)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phthalazin-1-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 2-(2-methylpropyl)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phthalazin-1-one?
The IUPAC name of 2-(2-methylpropyl)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phthalazin-1-one (CID 86859583) is 2-(2-methylpropyl)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phthalazin-1-one.
What is the SMILES notation for 2-(2-methylpropyl)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phthalazin-1-one?
The canonical SMILES for 2-(2-methylpropyl)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phthalazin-1-one is CC(C)Cn1nc(C(=O)N2CCc3[nH]ncc3C2)c2ccccc2c1=O.
What is the InChIKey of 2-(2-methylpropyl)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phthalazin-1-one?
The InChIKey is SGIRHWYJIZBSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12(2)10-24-18(25)15-6-4-3-5-14(15)17(22-24)19(26)23-8-7-16-13(11-23)9-20-21-16/h3-6,9,12H,7-8,10-11H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-methylpropyl)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phthalazin-1-one?
2-(2-methylpropyl)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phthalazin-1-one has a molecular weight of 351.41 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phthalazin-1-one is sourced from PubChem (CID 86859583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).