[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;8-amino-N-methyl-2-phenyl-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone

C70H76N20O7 — CID 157369348

IUPAC[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;8-amino-N-methyl-2-phenyl-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCCCN(C)C(=O)c1cc(N)c2nc(-c3ccccc3)nn2c1.COC[C@@H]1CCCN1C(=O)c1cc(N)c2nc(-c3ccc(C)o3)nn2c1.Cc1ccc(-c2nc3c(N)cc(C(=O)N4CCCC4C)cn3n2)o1.Nc1cc(C(=O)N2CC=CCC2)cn2nc(-c3ccccc3)nc12
InChIInChI=1S/C18H21N5O3.C18H17N5O.C17H19N5O2.C17H19N5O/c1-11-5-6-15(26-11)16-20-17-14(19)8-12(9-23(17)21-16)18(24)22-7-3-4-13(22)10-25-2;19-15-11-14(18(24)22-9-5-2-6-10-22)12-23-17(15)20-16(21-23)13-7-3-1-4-8-13;1-10-4-3-7-21(10)17(23)12-8-13(18)16-19-15(20-22(16)9-12)14-6-5-11(2)24-14;1-3-9-21(2)17(23)13-10-14(18)16-19-15(20-22(16)11-13)12-7-5-4-6-8-12/h5-6,8-9,13H,3-4,7,10,19H2,1-2H3;1-5,7-8,11-12H,6,9-10,19H2;5-6,8-10H,3-4,7,18H2,1-2H3;4-8,10-11H,3,9,18H2,1-2H3/t13-;;;/m0.../s1
InChIKeyBJOKNOQUUUPARN-JEZXJMRTSA-N
MW1309.51 g/mol
LogP9.48
Rot. Bonds12

About [8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;8-amino-N-methyl-2-phenyl-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone

[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;8-amino-N-methyl-2-phenyl-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 157369348) has the molecular formula C70H76N20O7 and a molecular weight of 1309.51 g/mol. Its IUPAC name is [8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;8-amino-N-methyl-2-phenyl-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;8-amino-N-methyl-2-phenyl-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID157369348
Molecular FormulaC70H76N20O7
Molecular Weight1309.51 g/mol
Exact Mass1308.62
IUPAC Name[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;8-amino-N-methyl-2-phenyl-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCCCN(C)C(=O)c1cc(N)c2nc(-c3ccccc3)nn2c1.COC[C@@H]1CCCN1C(=O)c1cc(N)c2nc(-c3ccc(C)o3)nn2c1.Cc1ccc(-c2nc3c(N)cc(C(=O)N4CCCC4C)cn3n2)o1.Nc1cc(C(=O)N2CC=CCC2)cn2nc(-c3ccccc3)nc12
InChIInChI=1S/C18H21N5O3.C18H17N5O.C17H19N5O2.C17H19N5O/c1-11-5-6-15(26-11)16-20-17-14(19)8-12(9-23(17)21-16)18(24)22-7-3-4-13(22)10-25-2;19-15-11-14(18(24)22-9-5-2-6-10-22)12-23-17(15)20-16(21-23)13-7-3-1-4-8-13;1-10-4-3-7-21(10)17(23)12-8-13(18)16-19-15(20-22(16)9-12)14-6-5-11(2)24-14;1-3-9-21(2)17(23)13-10-14(18)16-19-15(20-22(16)11-13)12-7-5-4-6-8-12/h5-6,8-9,13H,3-4,7,10,19H2,1-2H3;1-5,7-8,11-12H,6,9-10,19H2;5-6,8-10H,3-4,7,18H2,1-2H3;4-8,10-11H,3,9,18H2,1-2H3/t13-;;;/m0.../s1
InChIKeyBJOKNOQUUUPARN-JEZXJMRTSA-N
XLogP9.48
TPSA341.59 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds12
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001309.51
LogP ≤ 59.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;8-amino-N-methyl-2-phenyl-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;8-amino-N-methyl-2-phenyl-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of [8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;8-amino-N-methyl-2-phenyl-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone (CID 157369348) is [8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;8-amino-N-methyl-2-phenyl-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for [8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;8-amino-N-methyl-2-phenyl-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for [8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;8-amino-N-methyl-2-phenyl-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone is CCCN(C)C(=O)c1cc(N)c2nc(-c3ccccc3)nn2c1.COC[C@@H]1CCCN1C(=O)c1cc(N)c2nc(-c3ccc(C)o3)nn2c1.Cc1ccc(-c2nc3c(N)cc(C(=O)N4CCCC4C)cn3n2)o1.Nc1cc(C(=O)N2CC=CCC2)cn2nc(-c3ccccc3)nc12.
What is the InChIKey of [8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;8-amino-N-methyl-2-phenyl-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is BJOKNOQUUUPARN-JEZXJMRTSA-N. The full InChI is InChI=1S/C18H21N5O3.C18H17N5O.C17H19N5O2.C17H19N5O/c1-11-5-6-15(26-11)16-20-17-14(19)8-12(9-23(17)21-16)18(24)22-7-3-4-13(22)10-25-2;19-15-11-14(18(24)22-9-5-2-6-10-22)12-23-17(15)20-16(21-23)13-7-3-1-4-8-13;1-10-4-3-7-21(10)17(23)12-8-13(18)16-19-15(20-22(16)9-12)14-6-5-11(2)24-14;1-3-9-21(2)17(23)13-10-14(18)16-19-15(20-22(16)11-13)12-7-5-4-6-8-12/h5-6,8-9,13H,3-4,7,10,19H2,1-2H3;1-5,7-8,11-12H,6,9-10,19H2;5-6,8-10H,3-4,7,18H2,1-2H3;4-8,10-11H,3,9,18H2,1-2H3/t13-;;;/m0.../s1.
What are the key properties of [8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;8-amino-N-methyl-2-phenyl-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;8-amino-N-methyl-2-phenyl-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 1309.51 g/mol, XLogP of 9.48, 12 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for [8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;8-amino-N-methyl-2-phenyl-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 157369348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).