N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxamide;N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]-5-methylpyrazole-3-carboxamide

C120H135F3N20O16 — CID 158904022

About N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxamide;N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]-5-methylpyrazole-3-carboxamide

N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxamide;N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]-5-methylpyrazole-3-carboxamide (PubChem CID 158904022) has the molecular formula C120H135F3N20O16 and a molecular weight of 2170.52 g/mol. Its IUPAC name is N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxamide;N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxamide;N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]-5-methylpyrazole-3-carboxamide
• PubChem CID: 158904022
• Molecular Formula: C120H135F3N20O16
• Molecular Weight: 2170.52 g/mol
• Exact Mass: 2169.03
• IUPAC Name: N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxamide;N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]-5-methylpyrazole-3-carboxamide
• SMILES: CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)c3ccc(-c4ccc(OC)cc4)[nH]c3=O)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)c3cn(C)nc3C(F)(F)F)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)c3nn(-c4ccccc4)c(=O)cc3O)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1
• InChI: InChI=1S/C43H48N6O6.C41H45N7O6.C36H42F3N7O4/c1-5-7-21-47(22-8-6-2)43(54)38-23-28(3)49(46-38)39-20-15-32(25-36(39)42(53)48-26-31-12-10-9-11-30(31)24-33(48)27-50)44-40(51)35-18-19-37(45-41(35)52)29-13-16-34(55-4)17-14-29;1-4-6-19-45(20-7-5-2)41(54)34-21-27(3)47(43-34)35-18-17-30(23-33(35)40(53)46-25-29-14-12-11-13-28(29)22-32(46)26-49)42-39(52)38-36(50)24-37(51)48(44-38)31-15-9-8-10-16-31;1-5-7-15-44(16-8-6-2)35(50)30-17-23(3)46(41-30)31-14-13-26(40-33(48)29-21-43(4)42-32(29)36(37,38)39)19-28(31)34(49)45-20-25-12-10-9-11-24(25)18-27(45)22-47/h9-20,23,25,33,50H,5-8,21-22,24,26-27H2,1-4H3,(H,44,51)(H,45,52);8-18,21,23-24,32,49-50H,4-7,19-20,22,25-26H2,1-3H3,(H,42,52);9-14,17,19,21,27,47H,5-8,15-16,18,20,22H2,1-4H3,(H,40,48)/t33-;32-;27-/m000/s1
• InChIKey: JFUSHXZQMAMGQF-PBVMADPCSA-N
• XLogP: 17.47
• TPSA: 438.34 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 39
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2170.52
LogP ≤ 5	17.47
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxamide;N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]-5-methylpyrazole-3-carboxamide?

The IUPAC name of N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxamide;N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]-5-methylpyrazole-3-carboxamide (CID 158904022) is N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxamide;N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]-5-methylpyrazole-3-carboxamide.

What is the SMILES notation for N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxamide;N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]-5-methylpyrazole-3-carboxamide?

The canonical SMILES for N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxamide;N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]-5-methylpyrazole-3-carboxamide is CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)c3ccc(-c4ccc(OC)cc4)[nH]c3=O)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)c3cn(C)nc3C(F)(F)F)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)c3nn(-c4ccccc4)c(=O)cc3O)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.

What is the InChIKey of N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxamide;N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]-5-methylpyrazole-3-carboxamide?

The InChIKey is JFUSHXZQMAMGQF-PBVMADPCSA-N. The full InChI is InChI=1S/C43H48N6O6.C41H45N7O6.C36H42F3N7O4/c1-5-7-21-47(22-8-6-2)43(54)38-23-28(3)49(46-38)39-20-15-32(25-36(39)42(53)48-26-31-12-10-9-11-30(31)24-33(48)27-50)44-40(51)35-18-19-37(45-41(35)52)29-13-16-34(55-4)17-14-29;1-4-6-19-45(20-7-5-2)41(54)34-21-27(3)47(43-34)35-18-17-30(23-33(35)40(53)46-25-29-14-12-11-13-28(29)22-32(46)26-49)42-39(52)38-36(50)24-37(51)48(44-38)31-15-9-8-10-16-31;1-5-7-15-44(16-8-6-2)35(50)30-17-23(3)46(41-30)31-14-13-26(40-33(48)29-21-43(4)42-32(29)36(37,38)39)19-28(31)34(49)45-20-25-12-10-9-11-24(25)18-27(45)22-47/h9-20,23,25,33,50H,5-8,21-22,24,26-27H2,1-4H3,(H,44,51)(H,45,52);8-18,21,23-24,32,49-50H,4-7,19-20,22,25-26H2,1-3H3,(H,42,52);9-14,17,19,21,27,47H,5-8,15-16,18,20,22H2,1-4H3,(H,40,48)/t33-;32-;27-/m000/s1.

What are the key properties of N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxamide;N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]-5-methylpyrazole-3-carboxamide?

N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxamide;N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 2170.52 g/mol, XLogP of 17.47, 39 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxamide;N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 158904022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).