7-[4-[5-(1-benzylpyrazol-4-yl)-1H-indazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline

C28H24N8 — CID 170648900

IUPAC7-[4-[5-(1-benzylpyrazol-4-yl)-1H-indazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc(Cn2cc(-c3ccc4[nH]nc(-c5cn(-c6ccc7c(c6)CNCC7)nn5)c4c3)cn2)cc1
InChIInChI=1S/C28H24N8/c1-2-4-19(5-3-1)16-35-17-23(15-30-35)21-7-9-26-25(13-21)28(33-31-26)27-18-36(34-32-27)24-8-6-20-10-11-29-14-22(20)12-24/h1-9,12-13,15,17-18,29H,10-11,14,16H2,(H,31,33)
InChIKeyZDOVUSQPUWOHPO-UHFFFAOYSA-N
MW472.56 g/mol
LogP4.37
Rot. Bonds5

About 7-[4-[5-(1-benzylpyrazol-4-yl)-1H-indazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline

7-[4-[5-(1-benzylpyrazol-4-yl)-1H-indazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 170648900) has the molecular formula C28H24N8 and a molecular weight of 472.56 g/mol. Its IUPAC name is 7-[4-[5-(1-benzylpyrazol-4-yl)-1H-indazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-[4-[5-(1-benzylpyrazol-4-yl)-1H-indazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID170648900
Molecular FormulaC28H24N8
Molecular Weight472.56 g/mol
Exact Mass472.21
IUPAC Name7-[4-[5-(1-benzylpyrazol-4-yl)-1H-indazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc(Cn2cc(-c3ccc4[nH]nc(-c5cn(-c6ccc7c(c6)CNCC7)nn5)c4c3)cn2)cc1
InChIInChI=1S/C28H24N8/c1-2-4-19(5-3-1)16-35-17-23(15-30-35)21-7-9-26-25(13-21)28(33-31-26)27-18-36(34-32-27)24-8-6-20-10-11-29-14-22(20)12-24/h1-9,12-13,15,17-18,29H,10-11,14,16H2,(H,31,33)
InChIKeyZDOVUSQPUWOHPO-UHFFFAOYSA-N
XLogP4.37
TPSA89.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.56
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[4-[5-(1-benzylpyrazol-4-yl)-1H-indazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

7-[4-[5-(2-fluoro-3-pyridinyl)-1H-indazol-3-yl]triazol-1-yl]-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 170649083
7-[4-[1-(oxan-2-yl)-5-(1-propylpyrazol-4-yl)indazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline
CID 170649115
N,N-dimethyl-5-[3-[1-(1-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)triazol-4-yl]-1H-indazol-5-yl]pyridin-2-amine
CID 170648968
7-[4-[5-(2-fluoro-3-pyridinyl)-1H-indazol-3-yl]triazol-1-yl]-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 170648971
3-[1-[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]triazol-4-yl]-1H-indazole
CID 57406014
3-[1-[4-(morpholin-4-ylmethyl)phenyl]triazol-4-yl]-1H-indazole-5-carboxylic acid
CID 67981302
7-[4-[1-(oxan-2-yl)-5-pyridin-4-ylindazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline
CID 170649116
(3S,4S)-4-[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]piperidin-3-ol
CID 129386052
4-[3-[3-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]propyl]morpholine
CID 57406915
[4-[4-[5-[(3-hydroxyazetidin-1-yl)methyl]-1H-indazol-3-yl]triazol-1-yl]phenyl]-morpholin-4-ylmethanone
CID 57406020
5-(2-fluoro-3-pyridinyl)-3-[1-(3,4,5-trimethoxyphenyl)triazol-4-yl]-1H-indazole
CID 170649080
6-(1-benzylpyrazol-4-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 143183374

Frequently Asked Questions

What is the IUPAC name of 7-[4-[5-(1-benzylpyrazol-4-yl)-1H-indazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-[4-[5-(1-benzylpyrazol-4-yl)-1H-indazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline (CID 170648900) is 7-[4-[5-(1-benzylpyrazol-4-yl)-1H-indazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-[4-[5-(1-benzylpyrazol-4-yl)-1H-indazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-[4-[5-(1-benzylpyrazol-4-yl)-1H-indazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline is c1ccc(Cn2cc(-c3ccc4[nH]nc(-c5cn(-c6ccc7c(c6)CNCC7)nn5)c4c3)cn2)cc1.
What is the InChIKey of 7-[4-[5-(1-benzylpyrazol-4-yl)-1H-indazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is ZDOVUSQPUWOHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N8/c1-2-4-19(5-3-1)16-35-17-23(15-30-35)21-7-9-26-25(13-21)28(33-31-26)27-18-36(34-32-27)24-8-6-20-10-11-29-14-22(20)12-24/h1-9,12-13,15,17-18,29H,10-11,14,16H2,(H,31,33).
What are the key properties of 7-[4-[5-(1-benzylpyrazol-4-yl)-1H-indazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline?
7-[4-[5-(1-benzylpyrazol-4-yl)-1H-indazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 472.56 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[5-(1-benzylpyrazol-4-yl)-1H-indazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 170648900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).