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

C26H26N8 — CID 170648968

IUPACN,N-dimethyl-5-[3-[1-(1-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)triazol-4-yl]-1H-indazol-5-yl]pyridin-2-amine
SMILESCC1NCCc2ccc(-n3cc(-c4n[nH]c5ccc(-c6ccc(N(C)C)nc6)cc45)nn3)cc21
InChIInChI=1S/C26H26N8/c1-16-21-13-20(7-4-17(21)10-11-27-16)34-15-24(30-32-34)26-22-12-18(5-8-23(22)29-31-26)19-6-9-25(28-14-19)33(2)3/h4-9,12-16,27H,10-11H2,1-3H3,(H,29,31)
InChIKeyJPRVXKAGCQINCJ-UHFFFAOYSA-N
MW450.55 g/mol
LogP4.15
Rot. Bonds4

About 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

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 (PubChem CID 170648968) has the molecular formula C26H26N8 and a molecular weight of 450.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,N-dimethyl-5-[3-[1-(1-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)triazol-4-yl]-1H-indazol-5-yl]pyridin-2-amine
PubChem CID170648968
Molecular FormulaC26H26N8
Molecular Weight450.55 g/mol
Exact Mass450.23
IUPAC NameN,N-dimethyl-5-[3-[1-(1-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)triazol-4-yl]-1H-indazol-5-yl]pyridin-2-amine
SMILESCC1NCCc2ccc(-n3cc(-c4n[nH]c5ccc(-c6ccc(N(C)C)nc6)cc45)nn3)cc21
InChIInChI=1S/C26H26N8/c1-16-21-13-20(7-4-17(21)10-11-27-16)34-15-24(30-32-34)26-22-12-18(5-8-23(22)29-31-26)19-6-9-25(28-14-19)33(2)3/h4-9,12-16,27H,10-11H2,1-3H3,(H,29,31)
InChIKeyJPRVXKAGCQINCJ-UHFFFAOYSA-N
XLogP4.15
TPSA87.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.55
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

7-[4-[5-(2-fluoro-3-pyridinyl)-1H-indazol-3-yl]triazol-1-yl]-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 170648971
7-[4-[5-(1-benzylpyrazol-4-yl)-1H-indazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline
CID 170648900
7-(6-methoxy-3-pyridinyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 58416402
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
5-(2-fluoro-3-pyridinyl)-3-[1-(3,4,5-trimethoxyphenyl)triazol-4-yl]-1H-indazole
CID 170649080
5-[3-(1,1-dioxothian-4-yl)-1H-indol-5-yl]-N,N-dimethylpyridin-2-amine
CID 141221062
(3S,4S)-4-[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]piperidin-3-ol
CID 129386052
2-N,2-N-dimethyl-5-N-[1-(5-pyridin-3-yl-1H-indazol-3-yl)ethenyl]pyridine-2,5-diamine
CID 142333796
6-fluoro-3-[1-[1-[2-(1-methyl-1-azaspiro[2.2]pentan-5-yl)ethyl]pyrazol-4-yl]triazol-4-yl]-1H-indazole
CID 88576092
7-[4-[1-(oxan-2-yl)-5-pyridin-4-ylindazol-3-yl]triazol-1-yl]-1,2,3,4-tetrahydroisoquinoline
CID 170649116
[4-[4-[5-[(3-hydroxyazetidin-1-yl)methyl]-1H-indazol-3-yl]triazol-1-yl]phenyl]-morpholin-4-ylmethanone
CID 57406020
3-[1-[4-(morpholin-4-ylmethyl)phenyl]triazol-4-yl]-1H-indazole-5-carboxylic acid
CID 67981302

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1NCCc2ccc(-n3cc(-c4n[nH]c5ccc(-c6ccc(N(C)C)nc6)cc45)nn3)cc21.
What is the InChIKey of 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?
The InChIKey is JPRVXKAGCQINCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8/c1-16-21-13-20(7-4-17(21)10-11-27-16)34-15-24(30-32-34)26-22-12-18(5-8-23(22)29-31-26)19-6-9-25(28-14-19)33(2)3/h4-9,12-16,27H,10-11H2,1-3H3,(H,29,31).
What are the key properties of 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?
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 has a molecular weight of 450.55 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170648968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).