7-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-N-[2-methyl-5-[[2-[(2R)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide

C28H30N8O4 — CID 170634396

About 7-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-N-[2-methyl-5-[[2-[(2R)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide

7-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-N-[2-methyl-5-[[2-[(2R)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide (PubChem CID 170634396) has the molecular formula C28H30N8O4 and a molecular weight of 542.60 g/mol. Its IUPAC name is 7-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-N-[2-methyl-5-[[2-[(2R)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-N-[2-methyl-5-[[2-[(2R)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
• PubChem CID: 170634396
• Molecular Formula: C28H30N8O4
• Molecular Weight: 542.60 g/mol
• Exact Mass: 542.24
• IUPAC Name: 7-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-N-[2-methyl-5-[[2-[(2R)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
• SMILES: Cc1ncc(NC(=O)CN2CCC[C@H]2C)cc1NC(=O)c1nnc2cc(-c3ccc(C4(O)COC4)nc3)ccn12
• InChI: InChI=1S/C28H30N8O4/c1-17-4-3-8-35(17)14-25(37)31-21-11-22(18(2)29-13-21)32-27(38)26-34-33-24-10-19(7-9-36(24)26)20-5-6-23(30-12-20)28(39)15-40-16-28/h5-7,9-13,17,39H,3-4,8,14-16H2,1-2H3,(H,31,37)(H,32,38)/t17-/m1/s1
• InChIKey: PITCVWWAEJVAFY-QGZVFWFLSA-N
• XLogP: 2.39
• TPSA: 146.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.60
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 7-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-N-[2-methyl-5-[[2-[(2R)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?

The IUPAC name of 7-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-N-[2-methyl-5-[[2-[(2R)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide (CID 170634396) is 7-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-N-[2-methyl-5-[[2-[(2R)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide.

What is the SMILES notation for 7-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-N-[2-methyl-5-[[2-[(2R)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?

The canonical SMILES for 7-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-N-[2-methyl-5-[[2-[(2R)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide is Cc1ncc(NC(=O)CN2CCC[C@H]2C)cc1NC(=O)c1nnc2cc(-c3ccc(C4(O)COC4)nc3)ccn12.

What is the InChIKey of 7-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-N-[2-methyl-5-[[2-[(2R)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?

The InChIKey is PITCVWWAEJVAFY-QGZVFWFLSA-N. The full InChI is InChI=1S/C28H30N8O4/c1-17-4-3-8-35(17)14-25(37)31-21-11-22(18(2)29-13-21)32-27(38)26-34-33-24-10-19(7-9-36(24)26)20-5-6-23(30-12-20)28(39)15-40-16-28/h5-7,9-13,17,39H,3-4,8,14-16H2,1-2H3,(H,31,37)(H,32,38)/t17-/m1/s1.

What are the key properties of 7-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-N-[2-methyl-5-[[2-[(2R)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?

7-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-N-[2-methyl-5-[[2-[(2R)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide has a molecular weight of 542.60 g/mol, XLogP of 2.39, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[6-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-N-[2-methyl-5-[[2-[(2R)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide is sourced from PubChem (CID 170634396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).