4-[6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine

C25H26N6O — CID 68997934

IUPAC4-[6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine
SMILESCN1Cc2cc(-c3ccc(N4CCOCC4)nn3)ccc2C(c2ccc3cn[nH]c3c2)C1
InChIInChI=1S/C25H26N6O/c1-30-15-20-12-18(23-6-7-25(29-28-23)31-8-10-32-11-9-31)4-5-21(20)22(16-30)17-2-3-19-14-26-27-24(19)13-17/h2-7,12-14,22H,8-11,15-16H2,1H3,(H,26,27)
InChIKeyLNZVVQUQTNMPPD-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.43
Rot. Bonds3

About 4-[6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine

4-[6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine (PubChem CID 68997934) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is 4-[6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine.

Molecular Properties

Compound Name4-[6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine
PubChem CID68997934
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC Name4-[6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine
SMILESCN1Cc2cc(-c3ccc(N4CCOCC4)nn3)ccc2C(c2ccc3cn[nH]c3c2)C1
InChIInChI=1S/C25H26N6O/c1-30-15-20-12-18(23-6-7-25(29-28-23)31-8-10-32-11-9-31)4-5-21(20)22(16-30)17-2-3-19-14-26-27-24(19)13-17/h2-7,12-14,22H,8-11,15-16H2,1H3,(H,26,27)
InChIKeyLNZVVQUQTNMPPD-UHFFFAOYSA-N
XLogP3.43
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine?
The IUPAC name of 4-[6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine (CID 68997934) is 4-[6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine.
What is the SMILES notation for 4-[6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine?
The canonical SMILES for 4-[6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine is CN1Cc2cc(-c3ccc(N4CCOCC4)nn3)ccc2C(c2ccc3cn[nH]c3c2)C1.
What is the InChIKey of 4-[6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine?
The InChIKey is LNZVVQUQTNMPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-30-15-20-12-18(23-6-7-25(29-28-23)31-8-10-32-11-9-31)4-5-21(20)22(16-30)17-2-3-19-14-26-27-24(19)13-17/h2-7,12-14,22H,8-11,15-16H2,1H3,(H,26,27).
What are the key properties of 4-[6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine?
4-[6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine has a molecular weight of 426.52 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine is sourced from PubChem (CID 68997934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).