6-[(2R)-4-(4-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile

C19H17ClN6 — CID 90644089

IUPAC6-[(2R)-4-(4-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile
SMILESC[C@@H]1CN(c2nnc(Cl)c3ccccc23)CCN1c1ccc(C#N)cn1
InChIInChI=1S/C19H17ClN6/c1-13-12-25(8-9-26(13)17-7-6-14(10-21)11-22-17)19-16-5-3-2-4-15(16)18(20)23-24-19/h2-7,11,13H,8-9,12H2,1H3/t13-/m1/s1
InChIKeyYMDTTYODSSEZPW-CYBMUJFWSA-N
MW364.84 g/mol
LogP3.26
Rot. Bonds2

About 6-[(2R)-4-(4-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile

6-[(2R)-4-(4-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 90644089) has the molecular formula C19H17ClN6 and a molecular weight of 364.84 g/mol. Its IUPAC name is 6-[(2R)-4-(4-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(2R)-4-(4-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile
PubChem CID90644089
Molecular FormulaC19H17ClN6
Molecular Weight364.84 g/mol
Exact Mass364.12
IUPAC Name6-[(2R)-4-(4-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile
SMILESC[C@@H]1CN(c2nnc(Cl)c3ccccc23)CCN1c1ccc(C#N)cn1
InChIInChI=1S/C19H17ClN6/c1-13-12-25(8-9-26(13)17-7-6-14(10-21)11-22-17)19-16-5-3-2-4-15(16)18(20)23-24-19/h2-7,11,13H,8-9,12H2,1H3/t13-/m1/s1
InChIKeyYMDTTYODSSEZPW-CYBMUJFWSA-N
XLogP3.26
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[(2R)-4-(4-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile 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 6-[(2R)-4-(4-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[(2R)-4-(4-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile (CID 90644089) is 6-[(2R)-4-(4-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(2R)-4-(4-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(2R)-4-(4-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile is C[C@@H]1CN(c2nnc(Cl)c3ccccc23)CCN1c1ccc(C#N)cn1.
What is the InChIKey of 6-[(2R)-4-(4-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is YMDTTYODSSEZPW-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H17ClN6/c1-13-12-25(8-9-26(13)17-7-6-14(10-21)11-22-17)19-16-5-3-2-4-15(16)18(20)23-24-19/h2-7,11,13H,8-9,12H2,1H3/t13-/m1/s1.
What are the key properties of 6-[(2R)-4-(4-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile?
6-[(2R)-4-(4-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 364.84 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-4-(4-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 90644089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).