N-benzyl-4-(5-methylsulfonyl-3-pyridinyl)-8-phenylphthalazin-1-amine;5-[4-[(2-methylphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide;4-(5-methyl-3-pyridinyl)-8-phenyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine

C80H66N14O4S2 — CID 160673588

IUPACN-benzyl-4-(5-methylsulfonyl-3-pyridinyl)-8-phenylphthalazin-1-amine;5-[4-[(2-methylphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide;4-(5-methyl-3-pyridinyl)-8-phenyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine
SMILESCS(=O)(=O)c1cncc(-c2nnc(NCc3ccccc3)c3c(-c4ccccc4)cccc23)c1.Cc1ccccc1CNc1nnc(-c2cncc(S(N)(=O)=O)c2)c2cccc(-c3ccccc3)c12.Cc1cncc(-c2nnc(NCc3ccccn3)c3c(-c4ccccc4)cccc23)c1
InChIInChI=1S/C27H23N5O2S.C27H22N4O2S.C26H21N5/c1-18-8-5-6-11-20(18)16-30-27-25-23(19-9-3-2-4-10-19)12-7-13-24(25)26(31-32-27)21-14-22(17-29-15-21)35(28,33)34;1-34(32,33)22-15-21(17-28-18-22)26-24-14-8-13-23(20-11-6-3-7-12-20)25(24)27(31-30-26)29-16-19-9-4-2-5-10-19;1-18-14-20(16-27-15-18)25-23-12-7-11-22(19-8-3-2-4-9-19)24(23)26(31-30-25)29-17-21-10-5-6-13-28-21/h2-15,17H,16H2,1H3,(H,30,32)(H2,28,33,34);2-15,17-18H,16H2,1H3,(H,29,31);2-16H,17H2,1H3,(H,29,31)
InChIKeyRNGAKMBTQMMWIG-UHFFFAOYSA-N
MW1351.64 g/mol
LogP15.98
Rot. Bonds17

About N-benzyl-4-(5-methylsulfonyl-3-pyridinyl)-8-phenylphthalazin-1-amine;5-[4-[(2-methylphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide;4-(5-methyl-3-pyridinyl)-8-phenyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine

N-benzyl-4-(5-methylsulfonyl-3-pyridinyl)-8-phenylphthalazin-1-amine;5-[4-[(2-methylphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide;4-(5-methyl-3-pyridinyl)-8-phenyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine (PubChem CID 160673588) has the molecular formula C80H66N14O4S2 and a molecular weight of 1351.64 g/mol. Its IUPAC name is N-benzyl-4-(5-methylsulfonyl-3-pyridinyl)-8-phenylphthalazin-1-amine;5-[4-[(2-methylphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide;4-(5-methyl-3-pyridinyl)-8-phenyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-benzyl-4-(5-methylsulfonyl-3-pyridinyl)-8-phenylphthalazin-1-amine;5-[4-[(2-methylphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide;4-(5-methyl-3-pyridinyl)-8-phenyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine
PubChem CID160673588
Molecular FormulaC80H66N14O4S2
Molecular Weight1351.64 g/mol
Exact Mass1350.48
IUPAC NameN-benzyl-4-(5-methylsulfonyl-3-pyridinyl)-8-phenylphthalazin-1-amine;5-[4-[(2-methylphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide;4-(5-methyl-3-pyridinyl)-8-phenyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine
SMILESCS(=O)(=O)c1cncc(-c2nnc(NCc3ccccc3)c3c(-c4ccccc4)cccc23)c1.Cc1ccccc1CNc1nnc(-c2cncc(S(N)(=O)=O)c2)c2cccc(-c3ccccc3)c12.Cc1cncc(-c2nnc(NCc3ccccn3)c3c(-c4ccccc4)cccc23)c1
InChIInChI=1S/C27H23N5O2S.C27H22N4O2S.C26H21N5/c1-18-8-5-6-11-20(18)16-30-27-25-23(19-9-3-2-4-10-19)12-7-13-24(25)26(31-32-27)21-14-22(17-29-15-21)35(28,33)34;1-34(32,33)22-15-21(17-28-18-22)26-24-14-8-13-23(20-11-6-3-7-12-20)25(24)27(31-30-26)29-16-19-9-4-2-5-10-19;1-18-14-20(16-27-15-18)25-23-12-7-11-22(19-8-3-2-4-9-19)24(23)26(31-30-25)29-17-21-10-5-6-13-28-21/h2-15,17H,16H2,1H3,(H,30,32)(H2,28,33,34);2-15,17-18H,16H2,1H3,(H,29,31);2-16H,17H2,1H3,(H,29,31)
InChIKeyRNGAKMBTQMMWIG-UHFFFAOYSA-N
XLogP15.98
TPSA259.29 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001351.64
LogP ≤ 515.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze N-benzyl-4-(5-methylsulfonyl-3-pyridinyl)-8-phenylphthalazin-1-amine;5-[4-[(2-methylphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide;4-(5-methyl-3-pyridinyl)-8-phenyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine with MolForge

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Related Compounds

5-[4-[(2-methoxyphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide
CID 86267259
N-tert-butyl-5-[8-phenyl-1-(pyridin-2-ylmethylamino)isoquinolin-4-yl]pyridine-3-sulfonamide;5-[8-phenyl-1-(pyridin-2-ylmethylamino)isoquinolin-4-yl]pyridine-3-sulfonamide
CID 158818478
4-(5-methyl-3-pyridinyl)-8-phenyl-N-(pyridin-2-ylmethyl)isoquinolin-1-amine
CID 144706411
4-[5-(1-aminoethenyl)-3-pyridinyl]-8-phenyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine
CID 118679911
N-[5-[4-(benzylamino)-5-phenylphthalazin-1-yl]-3-pyridinyl]methanesulfonamide
CID 86270291
azane;ethyl 5-[5-phenyl-4-(pyridin-2-ylmethylamino)phthalazin-1-yl]pyridine-3-carboxylate;5-[5-phenyl-4-(pyridin-2-ylmethylamino)phthalazin-1-yl]pyridine-3-carboxamide
CID 161382134
5-[1-(benzylamino)-3-chloro-8-phenylisoquinolin-4-yl]pyridine-3-sulfonamide
CID 118659301
N-butyl-5-[4-methyl-8-phenyl-1-(pyridin-2-ylmethylamino)isoquinolin-3-yl]pyridine-3-sulfonamide
CID 90425098
5-[5-phenyl-4-[[(1R)-1-phenylethyl]amino]phthalazin-1-yl]pyridine-3-sulfonamide
CID 86268298
[5-[4-(benzylamino)-5-phenylphthalazin-1-yl]-3-pyridinyl]urea
CID 86270485
N-(2,3-dihydroxypropyl)-5-[5-phenyl-4-(pyridin-2-ylmethylamino)phthalazin-1-yl]pyridine-3-carboxamide
CID 90423672
4-[8-phenyl-1-(pyridin-2-ylmethylamino)isoquinolin-3-yl]benzenesulfonamide
CID 118659367

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(5-methylsulfonyl-3-pyridinyl)-8-phenylphthalazin-1-amine;5-[4-[(2-methylphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide;4-(5-methyl-3-pyridinyl)-8-phenyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine?
The IUPAC name of N-benzyl-4-(5-methylsulfonyl-3-pyridinyl)-8-phenylphthalazin-1-amine;5-[4-[(2-methylphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide;4-(5-methyl-3-pyridinyl)-8-phenyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine (CID 160673588) is N-benzyl-4-(5-methylsulfonyl-3-pyridinyl)-8-phenylphthalazin-1-amine;5-[4-[(2-methylphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide;4-(5-methyl-3-pyridinyl)-8-phenyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine.
What is the SMILES notation for N-benzyl-4-(5-methylsulfonyl-3-pyridinyl)-8-phenylphthalazin-1-amine;5-[4-[(2-methylphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide;4-(5-methyl-3-pyridinyl)-8-phenyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine?
The canonical SMILES for N-benzyl-4-(5-methylsulfonyl-3-pyridinyl)-8-phenylphthalazin-1-amine;5-[4-[(2-methylphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide;4-(5-methyl-3-pyridinyl)-8-phenyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine is CS(=O)(=O)c1cncc(-c2nnc(NCc3ccccc3)c3c(-c4ccccc4)cccc23)c1.Cc1ccccc1CNc1nnc(-c2cncc(S(N)(=O)=O)c2)c2cccc(-c3ccccc3)c12.Cc1cncc(-c2nnc(NCc3ccccn3)c3c(-c4ccccc4)cccc23)c1.
What is the InChIKey of N-benzyl-4-(5-methylsulfonyl-3-pyridinyl)-8-phenylphthalazin-1-amine;5-[4-[(2-methylphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide;4-(5-methyl-3-pyridinyl)-8-phenyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine?
The InChIKey is RNGAKMBTQMMWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O2S.C27H22N4O2S.C26H21N5/c1-18-8-5-6-11-20(18)16-30-27-25-23(19-9-3-2-4-10-19)12-7-13-24(25)26(31-32-27)21-14-22(17-29-15-21)35(28,33)34;1-34(32,33)22-15-21(17-28-18-22)26-24-14-8-13-23(20-11-6-3-7-12-20)25(24)27(31-30-26)29-16-19-9-4-2-5-10-19;1-18-14-20(16-27-15-18)25-23-12-7-11-22(19-8-3-2-4-9-19)24(23)26(31-30-25)29-17-21-10-5-6-13-28-21/h2-15,17H,16H2,1H3,(H,30,32)(H2,28,33,34);2-15,17-18H,16H2,1H3,(H,29,31);2-16H,17H2,1H3,(H,29,31).
What are the key properties of N-benzyl-4-(5-methylsulfonyl-3-pyridinyl)-8-phenylphthalazin-1-amine;5-[4-[(2-methylphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide;4-(5-methyl-3-pyridinyl)-8-phenyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine?
N-benzyl-4-(5-methylsulfonyl-3-pyridinyl)-8-phenylphthalazin-1-amine;5-[4-[(2-methylphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide;4-(5-methyl-3-pyridinyl)-8-phenyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine has a molecular weight of 1351.64 g/mol, XLogP of 15.98, 17 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(5-methylsulfonyl-3-pyridinyl)-8-phenylphthalazin-1-amine;5-[4-[(2-methylphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide;4-(5-methyl-3-pyridinyl)-8-phenyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine is sourced from PubChem (CID 160673588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).