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

C25H22N4O2 — CID 46231534

IUPAC6-[3-amino-1-[3-(3-methoxyphenyl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one
SMILESCOc1cccc(-c2cccc(-n3cc(-c4ccc5c(c4)CCNC5=O)c(N)n3)c2)c1
InChIInChI=1S/C25H22N4O2/c1-31-21-7-3-5-17(14-21)16-4-2-6-20(13-16)29-15-23(24(26)28-29)18-8-9-22-19(12-18)10-11-27-25(22)30/h2-9,12-15H,10-11H2,1H3,(H2,26,28)(H,27,30)
InChIKeyAEWVQURONHNXMU-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.08
Rot. Bonds4

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

6-[3-amino-1-[3-(3-methoxyphenyl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 46231534) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 6-[3-amino-1-[3-(3-methoxyphenyl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-[3-amino-1-[3-(3-methoxyphenyl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID46231534
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name6-[3-amino-1-[3-(3-methoxyphenyl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one
SMILESCOc1cccc(-c2cccc(-n3cc(-c4ccc5c(c4)CCNC5=O)c(N)n3)c2)c1
InChIInChI=1S/C25H22N4O2/c1-31-21-7-3-5-17(14-21)16-4-2-6-20(13-16)29-15-23(24(26)28-29)18-8-9-22-19(12-18)10-11-27-25(22)30/h2-9,12-15H,10-11H2,1H3,(H2,26,28)(H,27,30)
InChIKeyAEWVQURONHNXMU-UHFFFAOYSA-N
XLogP4.08
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-((2-amino-5-(1-methyl-1h-pyrazol-4-yl)pyridin-3-yl)ethynyl)-N-(4-methoxyphenyl)-4-methylbenzamide
CID 155522641
7-(3-amino-1-(4-methoxyphenyl)-1H-pyrazol-4-yl)-3,4-dihydroisoquinolin-1(2H)-one
CID 46231477
6-[3-amino-1-[3-(3-hydroxyphenyl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one
CID 46231533
4-[(3,5-dimethoxyphenyl)methyl]-N-[[2-methyl-4-(1-methyl-4,10-dihydropyrazolo[4,5-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]piperazine-1-carboxamide
CID 137212772
3-Anilino-1-[4-(cyanomethyl)-1-[(6-methoxynaphthalen-2-yl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 89473504
4-(3-amino-1-(4-methoxyphenyl)-1H-pyrazol-4-yl)benzamide
CID 46231473
5-(3-amino-1-(4-methoxyphenyl)-1H-pyrazol-4-yl)isoindolin-1-one
CID 46231476
8-(3-amino-1-(4-methoxyphenyl)-1H-pyrazol-4-yl)-2,3,4,5-tetrahydro-1H-benzo[c]azepin-1-one
CID 46231531
2-[2-(Dimethylamino)ethyl]-6-[4-(4-methoxyphenyl)pyrazol-1-yl]benzo[de]isoquinoline-1,3-dione
CID 73213335
2-[2-(Dimethylamino)ethyl]-6-[4-(3-methoxyphenyl)pyrazol-1-yl]benzo[de]isoquinoline-1,3-dione
CID 73213336
N-[2-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]ethyl]benzamide
CID 155810123
N-[3-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]propyl]benzamide
CID 155810741

Frequently Asked Questions

What is the IUPAC name of 6-[3-amino-1-[3-(3-methoxyphenyl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 6-[3-amino-1-[3-(3-methoxyphenyl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one (CID 46231534) is 6-[3-amino-1-[3-(3-methoxyphenyl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 6-[3-amino-1-[3-(3-methoxyphenyl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 6-[3-amino-1-[3-(3-methoxyphenyl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one is COc1cccc(-c2cccc(-n3cc(-c4ccc5c(c4)CCNC5=O)c(N)n3)c2)c1.
What is the InChIKey of 6-[3-amino-1-[3-(3-methoxyphenyl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is AEWVQURONHNXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-31-21-7-3-5-17(14-21)16-4-2-6-20(13-16)29-15-23(24(26)28-29)18-8-9-22-19(12-18)10-11-27-25(22)30/h2-9,12-15H,10-11H2,1H3,(H2,26,28)(H,27,30).
What are the key properties of 6-[3-amino-1-[3-(3-methoxyphenyl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one?
6-[3-amino-1-[3-(3-methoxyphenyl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 410.48 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-amino-1-[3-(3-methoxyphenyl)phenyl]pyrazol-4-yl]-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 46231534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).