6-[5-chloro-2-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N-(4-hydroxyphenyl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-1H-pyridazine-2-carboxamide;hydrochloride

C42H42Cl2N6O4 — CID 159782660

About 6-[5-chloro-2-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N-(4-hydroxyphenyl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-1H-pyridazine-2-carboxamide;hydrochloride

6-[5-chloro-2-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N-(4-hydroxyphenyl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-1H-pyridazine-2-carboxamide;hydrochloride (PubChem CID 159782660) has the molecular formula C42H42Cl2N6O4 and a molecular weight of 765.74 g/mol. Its IUPAC name is 6-[5-chloro-2-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N-(4-hydroxyphenyl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-1H-pyridazine-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 6-[5-chloro-2-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N-(4-hydroxyphenyl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-1H-pyridazine-2-carboxamide;hydrochloride
• PubChem CID: 159782660
• Molecular Formula: C42H42Cl2N6O4
• Molecular Weight: 765.74 g/mol
• Exact Mass: 764.26
• IUPAC Name: 6-[5-chloro-2-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N-(4-hydroxyphenyl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-1H-pyridazine-2-carboxamide;hydrochloride
• SMILES: C[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(Cl)cc1C1=CC=CN(C(=O)N(c2ccc(O)cc2)c2ccc3c(ccn3CCN3CCOCC3)c2)N1.Cl
• InChI: InChI=1S/C42H41ClN6O4.ClH/c1-29-25-30-5-2-3-6-32(30)28-47(29)41(51)37-14-8-33(43)27-38(37)39-7-4-17-48(44-39)42(52)49(34-9-12-36(50)13-10-34)35-11-15-40-31(26-35)16-18-46(40)20-19-45-21-23-53-24-22-45;/h2-18,26-27,29,44,50H,19-25,28H2,1H3;1H/t29-;/m1./s1
• InChIKey: VOOPWWCDQIRVGB-XXIQNXCHSA-N
• XLogP: 7.97
• TPSA: 93.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	765.74
LogP ≤ 5	7.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[5-chloro-2-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N-(4-hydroxyphenyl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-1H-pyridazine-2-carboxamide;hydrochloride?

The IUPAC name of 6-[5-chloro-2-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N-(4-hydroxyphenyl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-1H-pyridazine-2-carboxamide;hydrochloride (CID 159782660) is 6-[5-chloro-2-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N-(4-hydroxyphenyl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-1H-pyridazine-2-carboxamide;hydrochloride.

What is the SMILES notation for 6-[5-chloro-2-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N-(4-hydroxyphenyl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-1H-pyridazine-2-carboxamide;hydrochloride?

The canonical SMILES for 6-[5-chloro-2-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N-(4-hydroxyphenyl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-1H-pyridazine-2-carboxamide;hydrochloride is C[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(Cl)cc1C1=CC=CN(C(=O)N(c2ccc(O)cc2)c2ccc3c(ccn3CCN3CCOCC3)c2)N1.Cl.

What is the InChIKey of 6-[5-chloro-2-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N-(4-hydroxyphenyl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-1H-pyridazine-2-carboxamide;hydrochloride?

The InChIKey is VOOPWWCDQIRVGB-XXIQNXCHSA-N. The full InChI is InChI=1S/C42H41ClN6O4.ClH/c1-29-25-30-5-2-3-6-32(30)28-47(29)41(51)37-14-8-33(43)27-38(37)39-7-4-17-48(44-39)42(52)49(34-9-12-36(50)13-10-34)35-11-15-40-31(26-35)16-18-46(40)20-19-45-21-23-53-24-22-45;/h2-18,26-27,29,44,50H,19-25,28H2,1H3;1H/t29-;/m1./s1.

What are the key properties of 6-[5-chloro-2-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N-(4-hydroxyphenyl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-1H-pyridazine-2-carboxamide;hydrochloride?

6-[5-chloro-2-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N-(4-hydroxyphenyl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-1H-pyridazine-2-carboxamide;hydrochloride has a molecular weight of 765.74 g/mol, XLogP of 7.97, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-chloro-2-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N-(4-hydroxyphenyl)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-1H-pyridazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 159782660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).