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

C24H28N4O — CID 166151238

IUPAC5-cyclopropyl-2-[6-methyl-4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]phenol
SMILESCc1ccc2c(-c3ccc(C4CC4)cc3O)nnc(N[C@@H]3CCCN(C)C3)c2c1
InChIInChI=1S/C24H28N4O/c1-15-5-9-19-21(12-15)24(25-18-4-3-11-28(2)14-18)27-26-23(19)20-10-8-17(13-22(20)29)16-6-7-16/h5,8-10,12-13,16,18,29H,3-4,6-7,11,14H2,1-2H3,(H,25,27)/t18-/m1/s1
InChIKeyMPKJVEATKVSZDY-GOSISDBHSA-N
MW388.52 g/mol
LogP4.69
Rot. Bonds4

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

5-cyclopropyl-2-[6-methyl-4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]phenol (PubChem CID 166151238) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 5-cyclopropyl-2-[6-methyl-4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]phenol.

Molecular Properties

Compound Name5-cyclopropyl-2-[6-methyl-4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]phenol
PubChem CID166151238
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name5-cyclopropyl-2-[6-methyl-4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]phenol
SMILESCc1ccc2c(-c3ccc(C4CC4)cc3O)nnc(N[C@@H]3CCCN(C)C3)c2c1
InChIInChI=1S/C24H28N4O/c1-15-5-9-19-21(12-15)24(25-18-4-3-11-28(2)14-18)27-26-23(19)20-10-8-17(13-22(20)29)16-6-7-16/h5,8-10,12-13,16,18,29H,3-4,6-7,11,14H2,1-2H3,(H,25,27)/t18-/m1/s1
InChIKeyMPKJVEATKVSZDY-GOSISDBHSA-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
2-[6-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]-5-methylphenol
CID 175368068
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
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
tert-butyl (3R)-3-[[7-cyclopropyl-4-(2-methoxy-4-methylphenyl)phthalazin-1-yl]amino]piperidine-1-carboxylate
CID 166151209

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[6-methyl-4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]phenol?
The IUPAC name of 5-cyclopropyl-2-[6-methyl-4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]phenol (CID 166151238) is 5-cyclopropyl-2-[6-methyl-4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]phenol.
What is the SMILES notation for 5-cyclopropyl-2-[6-methyl-4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]phenol?
The canonical SMILES for 5-cyclopropyl-2-[6-methyl-4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]phenol is Cc1ccc2c(-c3ccc(C4CC4)cc3O)nnc(N[C@@H]3CCCN(C)C3)c2c1.
What is the InChIKey of 5-cyclopropyl-2-[6-methyl-4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]phenol?
The InChIKey is MPKJVEATKVSZDY-GOSISDBHSA-N. The full InChI is InChI=1S/C24H28N4O/c1-15-5-9-19-21(12-15)24(25-18-4-3-11-28(2)14-18)27-26-23(19)20-10-8-17(13-22(20)29)16-6-7-16/h5,8-10,12-13,16,18,29H,3-4,6-7,11,14H2,1-2H3,(H,25,27)/t18-/m1/s1.
What are the key properties of 5-cyclopropyl-2-[6-methyl-4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]phenol?
5-cyclopropyl-2-[6-methyl-4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]phenol 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 5-cyclopropyl-2-[6-methyl-4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]phenol is sourced from PubChem (CID 166151238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).