2-[6-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]-5-methylphenol

C24H28N4O — CID 175368068

IUPAC2-[6-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]-5-methylphenol
SMILESCc1ccc(-c2nnc(NC3CCCN(C)C3)c3cc(C4CC4)ccc23)c(O)c1
InChIInChI=1S/C24H28N4O/c1-15-5-9-20(22(29)12-15)23-19-10-8-17(16-6-7-16)13-21(19)24(27-26-23)25-18-4-3-11-28(2)14-18/h5,8-10,12-13,16,18,29H,3-4,6-7,11,14H2,1-2H3,(H,25,27)
InChIKeyLDGPVTGWLWQFPQ-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.69
Rot. Bonds4

About 2-[6-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]-5-methylphenol

2-[6-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]-5-methylphenol (PubChem CID 175368068) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-[6-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]-5-methylphenol.

Molecular Properties

Compound Name2-[6-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]-5-methylphenol
PubChem CID175368068
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name2-[6-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]-5-methylphenol
SMILESCc1ccc(-c2nnc(NC3CCCN(C)C3)c3cc(C4CC4)ccc23)c(O)c1
InChIInChI=1S/C24H28N4O/c1-15-5-9-20(22(29)12-15)23-19-10-8-17(16-6-7-16)13-21(19)24(27-26-23)25-18-4-3-11-28(2)14-18/h5,8-10,12-13,16,18,29H,3-4,6-7,11,14H2,1-2H3,(H,25,27)
InChIKeyLDGPVTGWLWQFPQ-UHFFFAOYSA-N
XLogP4.69
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-cyclopropyl-4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]-5-methylphenol
CID 166151402
5-cyclopropyl-2-[6-methyl-4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]phenol
CID 166151238
5-bromo-2-[6-methyl-4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]phenol
CID 166151317
5-bromo-2-[6-methyl-4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]phenol
CID 175368342
5-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]thieno[3,4-d]pyridazin-1-yl]phenol
CID 166460066
5-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]-6-methylsulfonylphthalazin-1-yl]phenol
CID 175368051
2-[6-(furan-2-yl)-4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]-5-methylphenol
CID 175368164
4-(4-cyclopropyl-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]phthalazin-1-amine
CID 166151208
5-chloro-2-[4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]phenol
CID 170156820
tert-butyl (3R)-3-[[7-cyclopropyl-4-(2-methoxy-4-methylphenyl)phthalazin-1-yl]amino]piperidine-1-carboxylate
CID 166151209
1-(2,4-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine
CID 171852703
2-[4-[[(3S)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]-5-(trifluoromethyl)phenol
CID 171852579

Frequently Asked Questions

What is the IUPAC name of 2-[6-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]-5-methylphenol?
The IUPAC name of 2-[6-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]-5-methylphenol (CID 175368068) is 2-[6-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]-5-methylphenol.
What is the SMILES notation for 2-[6-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]-5-methylphenol?
The canonical SMILES for 2-[6-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]-5-methylphenol is Cc1ccc(-c2nnc(NC3CCCN(C)C3)c3cc(C4CC4)ccc23)c(O)c1.
What is the InChIKey of 2-[6-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]-5-methylphenol?
The InChIKey is LDGPVTGWLWQFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-15-5-9-20(22(29)12-15)23-19-10-8-17(16-6-7-16)13-21(19)24(27-26-23)25-18-4-3-11-28(2)14-18/h5,8-10,12-13,16,18,29H,3-4,6-7,11,14H2,1-2H3,(H,25,27).
What are the key properties of 2-[6-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]-5-methylphenol?
2-[6-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]-5-methylphenol has a molecular weight of 388.52 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]-5-methylphenol is sourced from PubChem (CID 175368068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).