5-[3-[(2,5-dimethyl-1,3-oxazol-4-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylpyrazol-3-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C89H97N21O5 — CID 157052104

IUPAC5-[3-[(2,5-dimethyl-1,3-oxazol-4-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylpyrazol-3-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1ccc(CNc2cccc(-c3cccc4nc(Nc5ccc(OCCN6CCCC6)cc5)nn34)c2)o1.Cc1nc(CNc2cccc(-c3cccc4nc(Nc5ccc(OCCN6CCCC6)cc5)nn34)c2)c(C)o1.Cn1nccc1CNc1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1
InChIInChI=1S/C30H33N7O2.C30H32N6O2.C29H32N8O/c1-21-27(32-22(2)39-21)20-31-25-8-5-7-23(19-25)28-9-6-10-29-34-30(35-37(28)29)33-24-11-13-26(14-12-24)38-18-17-36-15-3-4-16-36;1-22-10-13-27(38-22)21-31-25-7-4-6-23(20-25)28-8-5-9-29-33-30(34-36(28)29)32-24-11-14-26(15-12-24)37-19-18-35-16-2-3-17-35;1-35-25(14-15-31-35)21-30-24-7-4-6-22(20-24)27-8-5-9-28-33-29(34-37(27)28)32-23-10-12-26(13-11-23)38-19-18-36-16-2-3-17-36/h5-14,19,31H,3-4,15-18,20H2,1-2H3,(H,33,35);4-15,20,31H,2-3,16-19,21H2,1H3,(H,32,34);4-15,20,30H,2-3,16-19,21H2,1H3,(H,32,34)
InChIKeyAAIDSMFTDTXTAJ-UHFFFAOYSA-N
MW1540.90 g/mol
LogP16.92
Rot. Bonds30

About 5-[3-[(2,5-dimethyl-1,3-oxazol-4-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylpyrazol-3-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-[3-[(2,5-dimethyl-1,3-oxazol-4-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylpyrazol-3-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 157052104) has the molecular formula C89H97N21O5 and a molecular weight of 1540.90 g/mol. Its IUPAC name is 5-[3-[(2,5-dimethyl-1,3-oxazol-4-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylpyrazol-3-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-[(2,5-dimethyl-1,3-oxazol-4-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylpyrazol-3-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID157052104
Molecular FormulaC89H97N21O5
Molecular Weight1540.90 g/mol
Exact Mass1539.80
IUPAC Name5-[3-[(2,5-dimethyl-1,3-oxazol-4-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylpyrazol-3-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1ccc(CNc2cccc(-c3cccc4nc(Nc5ccc(OCCN6CCCC6)cc5)nn34)c2)o1.Cc1nc(CNc2cccc(-c3cccc4nc(Nc5ccc(OCCN6CCCC6)cc5)nn34)c2)c(C)o1.Cn1nccc1CNc1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1
InChIInChI=1S/C30H33N7O2.C30H32N6O2.C29H32N8O/c1-21-27(32-22(2)39-21)20-31-25-8-5-7-23(19-25)28-9-6-10-29-34-30(35-37(28)29)33-24-11-13-26(14-12-24)38-18-17-36-15-3-4-16-36;1-22-10-13-27(38-22)21-31-25-7-4-6-23(20-25)28-8-5-9-29-33-30(34-36(28)29)32-24-11-14-26(15-12-24)37-19-18-35-16-2-3-17-35;1-35-25(14-15-31-35)21-30-24-7-4-6-22(20-24)27-8-5-9-28-33-29(34-37(27)28)32-23-10-12-26(13-11-23)38-19-18-36-16-2-3-17-36/h5-14,19,31H,3-4,15-18,20H2,1-2H3,(H,33,35);4-15,20,31H,2-3,16-19,21H2,1H3,(H,32,34);4-15,20,30H,2-3,16-19,21H2,1H3,(H,32,34)
InChIKeyAAIDSMFTDTXTAJ-UHFFFAOYSA-N
XLogP16.92
TPSA257.15 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds30
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001540.90
LogP ≤ 516.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Analyze 5-[3-[(2,5-dimethyl-1,3-oxazol-4-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylpyrazol-3-yl)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-[11-(Furan-2-yl)-3-(2-phenylethyl)-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-8-yl]-3-(4-methoxyphenyl)urea
CID 57393433
1-[11-(Furan-2-yl)-4-(2-phenylethyl)-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaen-8-yl]-3-(4-methoxyphenyl)urea
CID 57402162
1-[11-(Furan-2-yl)-4-(3-phenylpropyl)-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaen-8-yl]-3-(4-methoxyphenyl)urea
CID 57402163
US10640495, Example I-616
CID 135230802
US11472811, Example 113B
CID 149679206
1-[11-(Furan-2-yl)-3-(3-phenylpropyl)-3,4,7,9,10,12-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaen-8-yl]-3-(4-methoxyphenyl)urea
CID 57393434
5-(4-Morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1,3-benzoxazol-2-amine
CID 70798765
US11472811, Example 46
CID 146186370
US11472811, Example 44
CID 146186378
US11472811, Example 114B
CID 150247832
US11472811, Example 114
CID 150247833
US11472811, Example 115B
CID 150672752

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2,5-dimethyl-1,3-oxazol-4-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylpyrazol-3-yl)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-[(2,5-dimethyl-1,3-oxazol-4-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylpyrazol-3-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 157052104) is 5-[3-[(2,5-dimethyl-1,3-oxazol-4-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylpyrazol-3-yl)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-[(2,5-dimethyl-1,3-oxazol-4-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylpyrazol-3-yl)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-[(2,5-dimethyl-1,3-oxazol-4-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylpyrazol-3-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1ccc(CNc2cccc(-c3cccc4nc(Nc5ccc(OCCN6CCCC6)cc5)nn34)c2)o1.Cc1nc(CNc2cccc(-c3cccc4nc(Nc5ccc(OCCN6CCCC6)cc5)nn34)c2)c(C)o1.Cn1nccc1CNc1cccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)c1.
What is the InChIKey of 5-[3-[(2,5-dimethyl-1,3-oxazol-4-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylpyrazol-3-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is AAIDSMFTDTXTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O2.C30H32N6O2.C29H32N8O/c1-21-27(32-22(2)39-21)20-31-25-8-5-7-23(19-25)28-9-6-10-29-34-30(35-37(28)29)33-24-11-13-26(14-12-24)38-18-17-36-15-3-4-16-36;1-22-10-13-27(38-22)21-31-25-7-4-6-23(20-25)28-8-5-9-29-33-30(34-36(28)29)32-24-11-14-26(15-12-24)37-19-18-35-16-2-3-17-35;1-35-25(14-15-31-35)21-30-24-7-4-6-22(20-24)27-8-5-9-28-33-29(34-37(27)28)32-23-10-12-26(13-11-23)38-19-18-36-16-2-3-17-36/h5-14,19,31H,3-4,15-18,20H2,1-2H3,(H,33,35);4-15,20,31H,2-3,16-19,21H2,1H3,(H,32,34);4-15,20,30H,2-3,16-19,21H2,1H3,(H,32,34).
What are the key properties of 5-[3-[(2,5-dimethyl-1,3-oxazol-4-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylpyrazol-3-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-[3-[(2,5-dimethyl-1,3-oxazol-4-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylpyrazol-3-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 1540.90 g/mol, XLogP of 16.92, 30 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2,5-dimethyl-1,3-oxazol-4-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[3-[(2-methylpyrazol-3-yl)methylamino]phenyl]-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 157052104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).