5-[1-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]-1H-indol-6-yl]methyl]triazol-4-yl]-N,N-dimethylpyridin-3-amine

C26H33N7 — CID 171475586

IUPAC5-[1-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]-1H-indol-6-yl]methyl]triazol-4-yl]-N,N-dimethylpyridin-3-amine
SMILESCN(C)c1cncc(-c2cn(Cc3ccc4cc(CN5CCC(C)(C)CC5)[nH]c4c3)nn2)c1
InChIInChI=1S/C26H33N7/c1-26(2)7-9-32(10-8-26)17-22-12-20-6-5-19(11-24(20)28-22)16-33-18-25(29-30-33)21-13-23(31(3)4)15-27-14-21/h5-6,11-15,18,28H,7-10,16-17H2,1-4H3
InChIKeyUGWQQCNMHIWWOQ-UHFFFAOYSA-N
MW443.60 g/mol
LogP4.56
Rot. Bonds6

About 5-[1-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]-1H-indol-6-yl]methyl]triazol-4-yl]-N,N-dimethylpyridin-3-amine

5-[1-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]-1H-indol-6-yl]methyl]triazol-4-yl]-N,N-dimethylpyridin-3-amine (PubChem CID 171475586) has the molecular formula C26H33N7 and a molecular weight of 443.60 g/mol. Its IUPAC name is 5-[1-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]-1H-indol-6-yl]methyl]triazol-4-yl]-N,N-dimethylpyridin-3-amine.

Molecular Properties

Compound Name5-[1-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]-1H-indol-6-yl]methyl]triazol-4-yl]-N,N-dimethylpyridin-3-amine
PubChem CID171475586
Molecular FormulaC26H33N7
Molecular Weight443.60 g/mol
Exact Mass443.28
IUPAC Name5-[1-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]-1H-indol-6-yl]methyl]triazol-4-yl]-N,N-dimethylpyridin-3-amine
SMILESCN(C)c1cncc(-c2cn(Cc3ccc4cc(CN5CCC(C)(C)CC5)[nH]c4c3)nn2)c1
InChIInChI=1S/C26H33N7/c1-26(2)7-9-32(10-8-26)17-22-12-20-6-5-19(11-24(20)28-22)16-33-18-25(29-30-33)21-13-23(31(3)4)15-27-14-21/h5-6,11-15,18,28H,7-10,16-17H2,1-4H3
InChIKeyUGWQQCNMHIWWOQ-UHFFFAOYSA-N
XLogP4.56
TPSA65.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.60
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[4-[5-(2,5-dihydropyrrol-1-yl)-3-pyridinyl]triazol-1-yl]methyl]-2-[(4,4-dimethylpiperidin-1-yl)methyl]-1H-indole
CID 171084531
1-cyclobutyl-N-[[6-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]methyl]-1H-indol-2-yl]methyl]methanamine;hydrochloride
CID 175791496
1-cyclobutyl-N-[[6-[(4-imidazo[5,1-b][1,3]thiazol-2-yltriazol-1-yl)methyl]-1H-indol-2-yl]methyl]methanamine
CID 169095796
2-[[4-[5-(dimethylamino)-3-pyridinyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 171084299
6-(aziridin-1-yl)-4-[1-[[2-(3-cyclobutylpropyl)-1H-indol-6-yl]methyl]triazol-4-yl]-1H-indazole
CID 177373546
[2-(azepan-1-ylmethyl)-1H-indol-6-yl]methanamine
CID 117179946
1-(1H-indol-2-ylmethyl)-4-pyridin-4-ylpiperidin-4-ol
CID 156898163
2-methyl-6-(piperazin-1-ylmethyl)-1H-indole
CID 71137798
[2-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanamine
CID 117179949
1-[[3-[[4-(1H-pyrazol-4-yl)triazol-1-yl]methyl]phenyl]methyl]piperidine
CID 167830431
4-[[4-[4-(dimethylamino)phenyl]triazol-1-yl]methyl]-N-hydroxybenzamide
CID 87527968
3-(aziridin-1-yl)-5-(1-ethyltriazol-4-yl)pyridine
CID 176815593

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]-1H-indol-6-yl]methyl]triazol-4-yl]-N,N-dimethylpyridin-3-amine?
The IUPAC name of 5-[1-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]-1H-indol-6-yl]methyl]triazol-4-yl]-N,N-dimethylpyridin-3-amine (CID 171475586) is 5-[1-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]-1H-indol-6-yl]methyl]triazol-4-yl]-N,N-dimethylpyridin-3-amine.
What is the SMILES notation for 5-[1-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]-1H-indol-6-yl]methyl]triazol-4-yl]-N,N-dimethylpyridin-3-amine?
The canonical SMILES for 5-[1-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]-1H-indol-6-yl]methyl]triazol-4-yl]-N,N-dimethylpyridin-3-amine is CN(C)c1cncc(-c2cn(Cc3ccc4cc(CN5CCC(C)(C)CC5)[nH]c4c3)nn2)c1.
What is the InChIKey of 5-[1-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]-1H-indol-6-yl]methyl]triazol-4-yl]-N,N-dimethylpyridin-3-amine?
The InChIKey is UGWQQCNMHIWWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7/c1-26(2)7-9-32(10-8-26)17-22-12-20-6-5-19(11-24(20)28-22)16-33-18-25(29-30-33)21-13-23(31(3)4)15-27-14-21/h5-6,11-15,18,28H,7-10,16-17H2,1-4H3.
What are the key properties of 5-[1-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]-1H-indol-6-yl]methyl]triazol-4-yl]-N,N-dimethylpyridin-3-amine?
5-[1-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]-1H-indol-6-yl]methyl]triazol-4-yl]-N,N-dimethylpyridin-3-amine has a molecular weight of 443.60 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]-1H-indol-6-yl]methyl]triazol-4-yl]-N,N-dimethylpyridin-3-amine is sourced from PubChem (CID 171475586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).