7-[4-[1-(oxan-2-yl)-5-pyridin-4-ylindazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline

C28H27N7O — CID 170649116

IUPAC7-[4-[1-(oxan-2-yl)-5-pyridin-4-ylindazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline
SMILESc1cc(-c2ccc3c(c2)c(-c2cn(-c4ccc5c(c4)CNCC5)nn2)nn3C2CCCCO2)ccn1
InChIInChI=1S/C28H27N7O/c1-2-14-36-27(3-1)35-26-7-5-21(20-8-11-29-12-9-20)16-24(26)28(32-35)25-18-34(33-31-25)23-6-4-19-10-13-30-17-22(19)15-23/h4-9,11-12,15-16,18,27,30H,1-3,10,13-14,17H2
InChIKeyYOYKJNMLOJAMLU-UHFFFAOYSA-N
MW477.57 g/mol
LogP4.69
Rot. Bonds4

About 7-[4-[1-(oxan-2-yl)-5-pyridin-4-ylindazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline

7-[4-[1-(oxan-2-yl)-5-pyridin-4-ylindazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 170649116) has the molecular formula C28H27N7O and a molecular weight of 477.57 g/mol. Its IUPAC name is 7-[4-[1-(oxan-2-yl)-5-pyridin-4-ylindazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-[4-[1-(oxan-2-yl)-5-pyridin-4-ylindazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID170649116
Molecular FormulaC28H27N7O
Molecular Weight477.57 g/mol
Exact Mass477.23
IUPAC Name7-[4-[1-(oxan-2-yl)-5-pyridin-4-ylindazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline
SMILESc1cc(-c2ccc3c(c2)c(-c2cn(-c4ccc5c(c4)CNCC5)nn2)nn3C2CCCCO2)ccn1
InChIInChI=1S/C28H27N7O/c1-2-14-36-27(3-1)35-26-7-5-21(20-8-11-29-12-9-20)16-24(26)28(32-35)25-18-34(33-31-25)23-6-4-19-10-13-30-17-22(19)15-23/h4-9,11-12,15-16,18,27,30H,1-3,10,13-14,17H2
InChIKeyYOYKJNMLOJAMLU-UHFFFAOYSA-N
XLogP4.69
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-[4-[1-(oxan-2-yl)-5-pyridin-4-ylindazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

7-[4-[1-(oxan-2-yl)-5-(1-propylpyrazol-4-yl)indazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline
CID 170649115
1-[5-[1-(oxan-2-yl)-3-[1-(1,2,3,4-tetrahydroisoquinolin-7-yl)triazol-4-yl]indazol-5-yl]thiophen-2-yl]ethanone
CID 170648919
1-[7-[4-[5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]triazol-1-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 170649118
(4-chlorophenyl)-[7-[4-[5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]triazol-1-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 170648983
7-[4-[5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]triazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 170648908
3-[5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]-5-pyridin-4-yl-1,2,4-oxadiazole
CID 170649059
[4-[4-[5-(3-amino-2,2-dimethylpyrrolidin-1-yl)-1-(oxan-2-yl)indazol-3-yl]triazol-1-yl]phenyl]-morpholin-4-ylmethanone
CID 67981186
7-[4-[5-(1-benzylpyrazol-4-yl)-1H-indazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline
CID 170648900
5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-(2H-triazol-4-yl)indazole
CID 170648947
3-(4-chlorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile
CID 22480117
1-(oxan-2-yl)-3-pyridin-3-ylindazole-5-carbonitrile
CID 22479759
4-[(E)-2-[3-(4-fluorophenyl)-1-(oxan-2-yl)indazol-5-yl]ethenyl]benzoic acid
CID 22480234

Frequently Asked Questions

What is the IUPAC name of 7-[4-[1-(oxan-2-yl)-5-pyridin-4-ylindazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-[4-[1-(oxan-2-yl)-5-pyridin-4-ylindazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline (CID 170649116) is 7-[4-[1-(oxan-2-yl)-5-pyridin-4-ylindazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-[4-[1-(oxan-2-yl)-5-pyridin-4-ylindazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-[4-[1-(oxan-2-yl)-5-pyridin-4-ylindazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline is c1cc(-c2ccc3c(c2)c(-c2cn(-c4ccc5c(c4)CNCC5)nn2)nn3C2CCCCO2)ccn1.
What is the InChIKey of 7-[4-[1-(oxan-2-yl)-5-pyridin-4-ylindazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is YOYKJNMLOJAMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7O/c1-2-14-36-27(3-1)35-26-7-5-21(20-8-11-29-12-9-20)16-24(26)28(32-35)25-18-34(33-31-25)23-6-4-19-10-13-30-17-22(19)15-23/h4-9,11-12,15-16,18,27,30H,1-3,10,13-14,17H2.
What are the key properties of 7-[4-[1-(oxan-2-yl)-5-pyridin-4-ylindazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline?
7-[4-[1-(oxan-2-yl)-5-pyridin-4-ylindazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 477.57 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[1-(oxan-2-yl)-5-pyridin-4-ylindazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 170649116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).