3-methyl-1,2-oxazole;5-methylsulfonyl-N-[[2-(6-pyrrolidin-1-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]pyridine-3-carboxamide;molecular hydrogen

C29H31N7O4S — CID 176666569

About 3-methyl-1,2-oxazole;5-methylsulfonyl-N-[[2-(6-pyrrolidin-1-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]pyridine-3-carboxamide;molecular hydrogen

3-methyl-1,2-oxazole;5-methylsulfonyl-N-[[2-(6-pyrrolidin-1-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]pyridine-3-carboxamide;molecular hydrogen (PubChem CID 176666569) has the molecular formula C29H31N7O4S and a molecular weight of 573.68 g/mol. Its IUPAC name is 3-methyl-1,2-oxazole;5-methylsulfonyl-N-[[2-(6-pyrrolidin-1-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 3-methyl-1,2-oxazole;5-methylsulfonyl-N-[[2-(6-pyrrolidin-1-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]pyridine-3-carboxamide;molecular hydrogen
• PubChem CID: 176666569
• Molecular Formula: C29H31N7O4S
• Molecular Weight: 573.68 g/mol
• Exact Mass: 573.22
• IUPAC Name: 3-methyl-1,2-oxazole;5-methylsulfonyl-N-[[2-(6-pyrrolidin-1-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]pyridine-3-carboxamide;molecular hydrogen
• SMILES: CS(=O)(=O)c1cncc(C(=O)NCc2cc3nc(-c4cccc(N5CCCC5)n4)ccc3cn2)c1.Cc1ccon1.[H][H]
• InChI: InChI=1S/C25H24N6O3S.C4H5NO.H2/c1-35(33,34)20-11-18(13-26-16-20)25(32)28-15-19-12-23-17(14-27-19)7-8-22(29-23)21-5-4-6-24(30-21)31-9-2-3-10-31;1-4-2-3-6-5-4;/h4-8,11-14,16H,2-3,9-10,15H2,1H3,(H,28,32);2-3H,1H3;1H
• InChIKey: PBNUVYLPTIQJPO-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 144.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.68
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2-oxazole;5-methylsulfonyl-N-[[2-(6-pyrrolidin-1-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]pyridine-3-carboxamide;molecular hydrogen?

The IUPAC name of 3-methyl-1,2-oxazole;5-methylsulfonyl-N-[[2-(6-pyrrolidin-1-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]pyridine-3-carboxamide;molecular hydrogen (CID 176666569) is 3-methyl-1,2-oxazole;5-methylsulfonyl-N-[[2-(6-pyrrolidin-1-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]pyridine-3-carboxamide;molecular hydrogen.

What is the SMILES notation for 3-methyl-1,2-oxazole;5-methylsulfonyl-N-[[2-(6-pyrrolidin-1-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]pyridine-3-carboxamide;molecular hydrogen?

The canonical SMILES for 3-methyl-1,2-oxazole;5-methylsulfonyl-N-[[2-(6-pyrrolidin-1-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]pyridine-3-carboxamide;molecular hydrogen is CS(=O)(=O)c1cncc(C(=O)NCc2cc3nc(-c4cccc(N5CCCC5)n4)ccc3cn2)c1.Cc1ccon1.[H][H].

What is the InChIKey of 3-methyl-1,2-oxazole;5-methylsulfonyl-N-[[2-(6-pyrrolidin-1-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]pyridine-3-carboxamide;molecular hydrogen?

The InChIKey is PBNUVYLPTIQJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3S.C4H5NO.H2/c1-35(33,34)20-11-18(13-26-16-20)25(32)28-15-19-12-23-17(14-27-19)7-8-22(29-23)21-5-4-6-24(30-21)31-9-2-3-10-31;1-4-2-3-6-5-4;/h4-8,11-14,16H,2-3,9-10,15H2,1H3,(H,28,32);2-3H,1H3;1H.

What are the key properties of 3-methyl-1,2-oxazole;5-methylsulfonyl-N-[[2-(6-pyrrolidin-1-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]pyridine-3-carboxamide;molecular hydrogen?

3-methyl-1,2-oxazole;5-methylsulfonyl-N-[[2-(6-pyrrolidin-1-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 573.68 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-1,2-oxazole;5-methylsulfonyl-N-[[2-(6-pyrrolidin-1-yl-2-pyridinyl)-1,6-naphthyridin-7-yl]methyl]pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 176666569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).