[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-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone

C68H76N20O9 — CID 159909895

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-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone
SMILESCOC[C@@H]1CCCN1C(=O)c1cc(N)c2nc(-c3ccc(C)o3)nn2c1.Cc1ccc(-c2nc3c(N)cc(C(=O)N4CCCC4)cn3n2)o1.Cc1ccc(-c2nc3c(N)cc(C(=O)N4CCCC4C)cn3n2)o1.Cc1ccc(-c2nc3c(N)cc(C(=O)N4CCCCC4)cn3n2)o1
InChIInChI=1S/C18H21N5O3.2C17H19N5O2.C16H17N5O2/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;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;1-11-5-6-14(24-11)15-19-16-13(18)9-12(10-22(16)20-15)17(23)21-7-3-2-4-8-21;1-10-4-5-13(23-10)14-18-15-12(17)8-11(9-21(15)19-14)16(22)20-6-2-3-7-20/h5-6,8-9,13H,3-4,7,10,19H2,1-2H3;5-6,8-10H,3-4,7,18H2,1-2H3;5-6,9-10H,2-4,7-8,18H2,1H3;4-5,8-9H,2-3,6-7,17H2,1H3/t13-;;;/m0.../s1
InChIKeyNXBBKLNEXIOOJD-JEZXJMRTSA-N
MW1317.49 g/mol
LogP9.26
Rot. Bonds10

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-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone

[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-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone (PubChem CID 159909895) has the molecular formula C68H76N20O9 and a molecular weight of 1317.49 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-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone.

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-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone
PubChem CID159909895
Molecular FormulaC68H76N20O9
Molecular Weight1317.49 g/mol
Exact Mass1316.61
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-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone
SMILESCOC[C@@H]1CCCN1C(=O)c1cc(N)c2nc(-c3ccc(C)o3)nn2c1.Cc1ccc(-c2nc3c(N)cc(C(=O)N4CCCC4)cn3n2)o1.Cc1ccc(-c2nc3c(N)cc(C(=O)N4CCCC4C)cn3n2)o1.Cc1ccc(-c2nc3c(N)cc(C(=O)N4CCCCC4)cn3n2)o1
InChIInChI=1S/C18H21N5O3.2C17H19N5O2.C16H17N5O2/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;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;1-11-5-6-14(24-11)15-19-16-13(18)9-12(10-22(16)20-15)17(23)21-7-3-2-4-8-21;1-10-4-5-13(23-10)14-18-15-12(17)8-11(9-21(15)19-14)16(22)20-6-2-3-7-20/h5-6,8-9,13H,3-4,7,10,19H2,1-2H3;5-6,8-10H,3-4,7,18H2,1-2H3;5-6,9-10H,2-4,7-8,18H2,1H3;4-5,8-9H,2-3,6-7,17H2,1H3/t13-;;;/m0.../s1
InChIKeyNXBBKLNEXIOOJD-JEZXJMRTSA-N
XLogP9.26
TPSA367.87 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds10
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001317.49
LogP ≤ 59.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

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-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone 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-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
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-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone (CID 159909895) 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-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone.
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-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
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-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone is COC[C@@H]1CCCN1C(=O)c1cc(N)c2nc(-c3ccc(C)o3)nn2c1.Cc1ccc(-c2nc3c(N)cc(C(=O)N4CCCC4)cn3n2)o1.Cc1ccc(-c2nc3c(N)cc(C(=O)N4CCCC4C)cn3n2)o1.Cc1ccc(-c2nc3c(N)cc(C(=O)N4CCCCC4)cn3n2)o1.
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-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is NXBBKLNEXIOOJD-JEZXJMRTSA-N. The full InChI is InChI=1S/C18H21N5O3.2C17H19N5O2.C16H17N5O2/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;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;1-11-5-6-14(24-11)15-19-16-13(18)9-12(10-22(16)20-15)17(23)21-7-3-2-4-8-21;1-10-4-5-13(23-10)14-18-15-12(17)8-11(9-21(15)19-14)16(22)20-6-2-3-7-20/h5-6,8-9,13H,3-4,7,10,19H2,1-2H3;5-6,8-10H,3-4,7,18H2,1-2H3;5-6,9-10H,2-4,7-8,18H2,1H3;4-5,8-9H,2-3,6-7,17H2,1H3/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-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
[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-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 1317.49 g/mol, XLogP of 9.26, 10 rotatable bonds, 4 hydrogen bond donors, and 25 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-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 159909895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).