5-[3-[(4-methoxyphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-methylphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C96H102N18O4 — CID 158472504

IUPAC5-[3-[(4-methoxyphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-methylphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(CNc2cccc(-c3cccc4nc(Nc5ccc(OCCN6CCCC6)cc5)nn34)c2)cc1.Cc1cccc(CNc2cccc(-c3cccc4nc(Nc5ccc(OCCN6CCCC6)cc5)nn34)c2)c1.Cc1ccccc1CNc1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1
InChIInChI=1S/C32H34N6O2.2C32H34N6O/c1-39-28-14-10-24(11-15-28)23-33-27-7-4-6-25(22-27)30-8-5-9-31-35-32(36-38(30)31)34-26-12-16-29(17-13-26)40-21-20-37-18-2-3-19-37;1-24-7-4-8-25(21-24)23-33-28-10-5-9-26(22-28)30-11-6-12-31-35-32(36-38(30)31)34-27-13-15-29(16-14-27)39-20-19-37-17-2-3-18-37;1-24-8-2-3-9-26(24)23-33-28-11-6-10-25(22-28)30-12-7-13-31-35-32(36-38(30)31)34-27-14-16-29(17-15-27)39-21-20-37-18-4-5-19-37/h4-17,22,33H,2-3,18-21,23H2,1H3,(H,34,36);4-16,21-22,33H,2-3,17-20,23H2,1H3,(H,34,36);2-3,6-17,22,33H,4-5,18-21,23H2,1H3,(H,34,36)
InChIKeyHGNGSZUCADQOPU-UHFFFAOYSA-N
MW1571.99 g/mol
LogP19.31
Rot. Bonds31

About 5-[3-[(4-methoxyphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-methylphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-[3-[(4-methoxyphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-methylphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 158472504) has the molecular formula C96H102N18O4 and a molecular weight of 1571.99 g/mol. Its IUPAC name is 5-[3-[(4-methoxyphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-methylphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-[(4-methoxyphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-methylphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID158472504
Molecular FormulaC96H102N18O4
Molecular Weight1571.99 g/mol
Exact Mass1570.83
IUPAC Name5-[3-[(4-methoxyphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-methylphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(CNc2cccc(-c3cccc4nc(Nc5ccc(OCCN6CCCC6)cc5)nn34)c2)cc1.Cc1cccc(CNc2cccc(-c3cccc4nc(Nc5ccc(OCCN6CCCC6)cc5)nn34)c2)c1.Cc1ccccc1CNc1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1
InChIInChI=1S/C32H34N6O2.2C32H34N6O/c1-39-28-14-10-24(11-15-28)23-33-27-7-4-6-25(22-27)30-8-5-9-31-35-32(36-38(30)31)34-26-12-16-29(17-13-26)40-21-20-37-18-2-3-19-37;1-24-7-4-8-25(21-24)23-33-28-10-5-9-26(22-28)30-11-6-12-31-35-32(36-38(30)31)34-27-13-15-29(16-14-27)39-20-19-37-17-2-3-18-37;1-24-8-2-3-9-26(24)23-33-28-11-6-10-25(22-28)30-12-7-13-31-35-32(36-38(30)31)34-27-14-16-29(17-15-27)39-21-20-37-18-4-5-19-37/h4-17,22,33H,2-3,18-21,23H2,1H3,(H,34,36);4-16,21-22,33H,2-3,17-20,23H2,1H3,(H,34,36);2-3,6-17,22,33H,4-5,18-21,23H2,1H3,(H,34,36)
InChIKeyHGNGSZUCADQOPU-UHFFFAOYSA-N
XLogP19.31
TPSA209.39 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds31
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001571.99
LogP ≤ 519.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze 5-[3-[(4-methoxyphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-methylphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Related Compounds

1,2-Bis[8-[2-methoxy-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[4-(2-pyrrolidin-1-ylethoxy)phenyl]hydrazine
CID 89924641
5-[3-[2-(3-fluorophenyl)ethylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 126652710
5-[3-(benzylamino)phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-(butylamino)phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylphenyl)methoxy]phenyl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 158021483
Ethane;methanol;methyl trifluoromethanesulfonate;tris(5-phenyl-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine)
CID 159183712
N-phenyl-2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]propanamide;2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]acetamide;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 159291730
2-(2-fluorophenyl)-N-[[6-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]methyl]ethanamine;2-(3-fluorophenyl)-N-[[6-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]methyl]ethanamine;2-(4-methoxyphenyl)-N-[[6-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]methyl]ethanamine
CID 160045324
5-[3-[(4-fluorophenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(4-methylphenyl)methoxy]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 160413017
N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 162557121
5-[3-[(2,5-dimethylpyrazol-3-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59589568
[5-(3-Aminomethyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-amine
CID 59589633
N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59589636
5-(3-methylphenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59589669

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(4-methoxyphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-methylphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-[3-[(4-methoxyphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-methylphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 158472504) is 5-[3-[(4-methoxyphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-methylphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-[3-[(4-methoxyphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-methylphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-[3-[(4-methoxyphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-methylphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1ccc(CNc2cccc(-c3cccc4nc(Nc5ccc(OCCN6CCCC6)cc5)nn34)c2)cc1.Cc1cccc(CNc2cccc(-c3cccc4nc(Nc5ccc(OCCN6CCCC6)cc5)nn34)c2)c1.Cc1ccccc1CNc1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1.
What is the InChIKey of 5-[3-[(4-methoxyphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-methylphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is HGNGSZUCADQOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N6O2.2C32H34N6O/c1-39-28-14-10-24(11-15-28)23-33-27-7-4-6-25(22-27)30-8-5-9-31-35-32(36-38(30)31)34-26-12-16-29(17-13-26)40-21-20-37-18-2-3-19-37;1-24-7-4-8-25(21-24)23-33-28-10-5-9-26(22-28)30-11-6-12-31-35-32(36-38(30)31)34-27-13-15-29(16-14-27)39-20-19-37-17-2-3-18-37;1-24-8-2-3-9-26(24)23-33-28-11-6-10-25(22-28)30-12-7-13-31-35-32(36-38(30)31)34-27-14-16-29(17-15-27)39-21-20-37-18-4-5-19-37/h4-17,22,33H,2-3,18-21,23H2,1H3,(H,34,36);4-16,21-22,33H,2-3,17-20,23H2,1H3,(H,34,36);2-3,6-17,22,33H,4-5,18-21,23H2,1H3,(H,34,36).
What are the key properties of 5-[3-[(4-methoxyphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-methylphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-[3-[(4-methoxyphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-methylphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 1571.99 g/mol, XLogP of 19.31, 31 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(4-methoxyphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(3-methylphenyl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 158472504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).