2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

C28H35N7O4 — CID 164751026

About 2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (PubChem CID 164751026) has the molecular formula C28H35N7O4 and a molecular weight of 533.63 g/mol. Its IUPAC name is 2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
• PubChem CID: 164751026
• Molecular Formula: C28H35N7O4
• Molecular Weight: 533.63 g/mol
• Exact Mass: 533.28
• IUPAC Name: 2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
• SMILES: COc1ncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3nn(C4CCN(C)CC4)cc3c2)cc1C(N)=O
• InChI: InChI=1S/C28H35N7O4/c1-17-4-7-24(18-5-6-23-19(12-18)16-35(32-23)21-8-10-33(2)11-9-21)34(15-17)28(38)26(37)31-20-13-22(25(29)36)27(39-3)30-14-20/h5-6,12-14,16-17,21,24H,4,7-11,15H2,1-3H3,(H2,29,36)(H,31,37)/t17-,24+/m0/s1
• InChIKey: TYRQYFSOODYSDI-BXKMTCNYSA-N
• XLogP: 2.74
• TPSA: 135.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.63
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?

The IUPAC name of 2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (CID 164751026) is 2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.

What is the SMILES notation for 2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?

The canonical SMILES for 2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is COc1ncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3nn(C4CCN(C)CC4)cc3c2)cc1C(N)=O.

What is the InChIKey of 2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?

The InChIKey is TYRQYFSOODYSDI-BXKMTCNYSA-N. The full InChI is InChI=1S/C28H35N7O4/c1-17-4-7-24(18-5-6-23-19(12-18)16-35(32-23)21-8-10-33(2)11-9-21)34(15-17)28(38)26(37)31-20-13-22(25(29)36)27(39-3)30-14-20/h5-6,12-14,16-17,21,24H,4,7-11,15H2,1-3H3,(H2,29,36)(H,31,37)/t17-,24+/m0/s1.

What are the key properties of 2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?

2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide has a molecular weight of 533.63 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)indazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 164751026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).