6-[3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyridazin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one

C24H26N6O — CID 166093032

IUPAC6-[3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyridazin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one
SMILESCN1CCN(c2ccc(-c3cc(-c4ccc5c(c4)CCNC5=O)c(N)nn3)cc2)CC1
InChIInChI=1S/C24H26N6O/c1-29-10-12-30(13-11-29)19-5-2-16(3-6-19)22-15-21(23(25)28-27-22)17-4-7-20-18(14-17)8-9-26-24(20)31/h2-7,14-15H,8-13H2,1H3,(H2,25,28)(H,26,31)
InChIKeyYQPWYUMDAPCVHQ-UHFFFAOYSA-N
MW414.51 g/mol
LogP2.43
Rot. Bonds3

About 6-[3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyridazin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one

6-[3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyridazin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 166093032) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 6-[3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyridazin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-[3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyridazin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID166093032
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name6-[3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyridazin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one
SMILESCN1CCN(c2ccc(-c3cc(-c4ccc5c(c4)CCNC5=O)c(N)nn3)cc2)CC1
InChIInChI=1S/C24H26N6O/c1-29-10-12-30(13-11-29)19-5-2-16(3-6-19)22-15-21(23(25)28-27-22)17-4-7-20-18(14-17)8-9-26-24(20)31/h2-7,14-15H,8-13H2,1H3,(H2,25,28)(H,26,31)
InChIKeyYQPWYUMDAPCVHQ-UHFFFAOYSA-N
XLogP2.43
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyridazin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one with MolForge

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Related Compounds

6-[2-amino-5-[4-(4-methyl-3-propan-2-ylpiperazin-1-yl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 167196811
6-[2-amino-5-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-7-chloro-3,4-dihydro-2H-isoquinolin-1-one
CID 166093133
6-[3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazin-2-yl]-7-fluoro-3,4-dihydro-2H-isoquinolin-1-one;formic acid
CID 175814430
6-[2-amino-5-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-8-chloro-3,4-dihydro-2H-isoquinolin-1-one
CID 166093340
6-[2-amino-5-[4-[(3S)-3-methylsulfonylpyrrolidin-1-yl]phenyl]-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 166093396
6-[2-amino-5-[4-(3-methyl-4-propan-2-ylpiperazin-1-yl)phenyl]-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 166093188
6-(2-amino-5-methyl-3-pyridinyl)-3,4-dihydro-2H-isoquinolin-1-one
CID 134451454
N-[(3S)-1-[4-[6-amino-5-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-3-pyridinyl]phenyl]pyrrolidin-3-yl]-N-methylmethanesulfonamide
CID 166093247
6-[2-amino-5-[4-[(3R)-3-methylsulfinylpyrrolidin-1-yl]phenyl]-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 167196632
6-[2-amino-5-[4-[4-[(2,2-difluorocyclopropyl)methyl]piperazin-1-yl]phenyl]-6-fluoro-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 166094007
6-[2-amino-6-fluoro-5-(5-piperazin-1-yl-2-pyridinyl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 166093986
5-[2-amino-5-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]isoindole-1,3-dione
CID 166093249

Frequently Asked Questions

What is the IUPAC name of 6-[3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyridazin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 6-[3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyridazin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one (CID 166093032) is 6-[3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyridazin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 6-[3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyridazin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 6-[3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyridazin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one is CN1CCN(c2ccc(-c3cc(-c4ccc5c(c4)CCNC5=O)c(N)nn3)cc2)CC1.
What is the InChIKey of 6-[3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyridazin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is YQPWYUMDAPCVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-29-10-12-30(13-11-29)19-5-2-16(3-6-19)22-15-21(23(25)28-27-22)17-4-7-20-18(14-17)8-9-26-24(20)31/h2-7,14-15H,8-13H2,1H3,(H2,25,28)(H,26,31).
What are the key properties of 6-[3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyridazin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one?
6-[3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyridazin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 414.51 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-amino-6-[4-(4-methylpiperazin-1-yl)phenyl]pyridazin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 166093032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).