1-[2-[4-[2-(2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethoxy]-N-methylmethanamine

C28H38N6O — CID 146258284

IUPAC1-[2-[4-[2-(2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethoxy]-N-methylmethanamine
SMILESCNCOCCN1CCC(c2ccc3[nH]c(-c4cn5nc(C)nc5cc4C)c(C(C)C)c3c2)CC1
InChIInChI=1S/C28H38N6O/c1-18(2)27-23-15-22(21-8-10-33(11-9-21)12-13-35-17-29-5)6-7-25(23)31-28(27)24-16-34-26(14-19(24)3)30-20(4)32-34/h6-7,14-16,18,21,29,31H,8-13,17H2,1-5H3
InChIKeyUNIOQURGAQURIN-UHFFFAOYSA-N
MW474.65 g/mol
LogP4.99
Rot. Bonds8

About 1-[2-[4-[2-(2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethoxy]-N-methylmethanamine

1-[2-[4-[2-(2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethoxy]-N-methylmethanamine (PubChem CID 146258284) has the molecular formula C28H38N6O and a molecular weight of 474.65 g/mol. Its IUPAC name is 1-[2-[4-[2-(2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethoxy]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[4-[2-(2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethoxy]-N-methylmethanamine
PubChem CID146258284
Molecular FormulaC28H38N6O
Molecular Weight474.65 g/mol
Exact Mass474.31
IUPAC Name1-[2-[4-[2-(2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethoxy]-N-methylmethanamine
SMILESCNCOCCN1CCC(c2ccc3[nH]c(-c4cn5nc(C)nc5cc4C)c(C(C)C)c3c2)CC1
InChIInChI=1S/C28H38N6O/c1-18(2)27-23-15-22(21-8-10-33(11-9-21)12-13-35-17-29-5)6-7-25(23)31-28(27)24-16-34-26(14-19(24)3)30-20(4)32-34/h6-7,14-16,18,21,29,31H,8-13,17H2,1-5H3
InChIKeyUNIOQURGAQURIN-UHFFFAOYSA-N
XLogP4.99
TPSA70.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.65
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-(2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethoxy]-N-methylmethanamine?
The IUPAC name of 1-[2-[4-[2-(2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethoxy]-N-methylmethanamine (CID 146258284) is 1-[2-[4-[2-(2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethoxy]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[4-[2-(2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethoxy]-N-methylmethanamine?
The canonical SMILES for 1-[2-[4-[2-(2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethoxy]-N-methylmethanamine is CNCOCCN1CCC(c2ccc3[nH]c(-c4cn5nc(C)nc5cc4C)c(C(C)C)c3c2)CC1.
What is the InChIKey of 1-[2-[4-[2-(2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethoxy]-N-methylmethanamine?
The InChIKey is UNIOQURGAQURIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N6O/c1-18(2)27-23-15-22(21-8-10-33(11-9-21)12-13-35-17-29-5)6-7-25(23)31-28(27)24-16-34-26(14-19(24)3)30-20(4)32-34/h6-7,14-16,18,21,29,31H,8-13,17H2,1-5H3.
What are the key properties of 1-[2-[4-[2-(2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethoxy]-N-methylmethanamine?
1-[2-[4-[2-(2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethoxy]-N-methylmethanamine has a molecular weight of 474.65 g/mol, XLogP of 4.99, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-(2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethoxy]-N-methylmethanamine is sourced from PubChem (CID 146258284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).