1-(4-methylpiperazin-1-yl)-4-(4-quinolin-2-ylpyrazol-1-yl)phthalazine

C25H23N7 — CID 110173056

IUPAC1-(4-methylpiperazin-1-yl)-4-(4-quinolin-2-ylpyrazol-1-yl)phthalazine
SMILESCN1CCN(c2nnc(-n3cc(-c4ccc5ccccc5n4)cn3)c3ccccc23)CC1
InChIInChI=1S/C25H23N7/c1-30-12-14-31(15-13-30)24-20-7-3-4-8-21(20)25(29-28-24)32-17-19(16-26-32)23-11-10-18-6-2-5-9-22(18)27-23/h2-11,16-17H,12-15H2,1H3
InChIKeyLILDIECAOGMTNC-UHFFFAOYSA-N
MW421.51 g/mol
LogP3.78
Rot. Bonds3

About 1-(4-methylpiperazin-1-yl)-4-(4-quinolin-2-ylpyrazol-1-yl)phthalazine

1-(4-methylpiperazin-1-yl)-4-(4-quinolin-2-ylpyrazol-1-yl)phthalazine (PubChem CID 110173056) has the molecular formula C25H23N7 and a molecular weight of 421.51 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-4-(4-quinolin-2-ylpyrazol-1-yl)phthalazine.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-4-(4-quinolin-2-ylpyrazol-1-yl)phthalazine
PubChem CID110173056
Molecular FormulaC25H23N7
Molecular Weight421.51 g/mol
Exact Mass421.20
IUPAC Name1-(4-methylpiperazin-1-yl)-4-(4-quinolin-2-ylpyrazol-1-yl)phthalazine
SMILESCN1CCN(c2nnc(-n3cc(-c4ccc5ccccc5n4)cn3)c3ccccc23)CC1
InChIInChI=1S/C25H23N7/c1-30-12-14-31(15-13-30)24-20-7-3-4-8-21(20)25(29-28-24)32-17-19(16-26-32)23-11-10-18-6-2-5-9-22(18)27-23/h2-11,16-17H,12-15H2,1H3
InChIKeyLILDIECAOGMTNC-UHFFFAOYSA-N
XLogP3.78
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-1-[4-(4-quinolin-2-ylpyrazol-1-yl)phthalazin-1-yl]pyrrolidin-3-ol
CID 110173055
1-(4-methylpiperazin-1-yl)-4-phenylphthalazine;hydrochloride
CID 45261463
1-(4-methylpiperazin-1-yl)isoquinoline
CID 4687476
4-(4-methylpiperazin-1-yl)-2-naphthalen-2-ylquinoline;dihydrate
CID 51058349
4-[1-(2-methoxyphenyl)pyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 46992065
2-[2-(4-methylpiperazin-1-yl)-6-(oxan-4-ylmethyl)-4-pyridinyl]quinoline
CID 85469056
2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-6-ol
CID 58362670
1-(4-methylpiperazin-1-yl)-4-(pyridin-4-ylmethyl)phthalazine
CID 20875729
2-(2,6-difluorophenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine
CID 171517462
1-(4-methyl-1,4-diazepan-1-yl)-3-naphthalen-1-ylisoquinoline;hydrochloride
CID 45262246
2-bromo-3-(4-methylpiperazin-1-yl)quinoxaline
CID 71662745
N'-hydroxy-2-(4-methylpiperazin-1-yl)quinoline-3-carboximidamide
CID 77034271

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-4-(4-quinolin-2-ylpyrazol-1-yl)phthalazine?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-4-(4-quinolin-2-ylpyrazol-1-yl)phthalazine (CID 110173056) is 1-(4-methylpiperazin-1-yl)-4-(4-quinolin-2-ylpyrazol-1-yl)phthalazine.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-4-(4-quinolin-2-ylpyrazol-1-yl)phthalazine?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-4-(4-quinolin-2-ylpyrazol-1-yl)phthalazine is CN1CCN(c2nnc(-n3cc(-c4ccc5ccccc5n4)cn3)c3ccccc23)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-4-(4-quinolin-2-ylpyrazol-1-yl)phthalazine?
The InChIKey is LILDIECAOGMTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7/c1-30-12-14-31(15-13-30)24-20-7-3-4-8-21(20)25(29-28-24)32-17-19(16-26-32)23-11-10-18-6-2-5-9-22(18)27-23/h2-11,16-17H,12-15H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-4-(4-quinolin-2-ylpyrazol-1-yl)phthalazine?
1-(4-methylpiperazin-1-yl)-4-(4-quinolin-2-ylpyrazol-1-yl)phthalazine has a molecular weight of 421.51 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-4-(4-quinolin-2-ylpyrazol-1-yl)phthalazine is sourced from PubChem (CID 110173056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).