N-[2-[2-[4-(diethylamino)piperidin-1-yl]-2-oxoethyl]-6-methylindazol-5-yl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carboxamide

C31H43N7O3 — CID 144865206

About N-[2-[2-[4-(diethylamino)piperidin-1-yl]-2-oxoethyl]-6-methylindazol-5-yl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carboxamide

N-[2-[2-[4-(diethylamino)piperidin-1-yl]-2-oxoethyl]-6-methylindazol-5-yl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carboxamide (PubChem CID 144865206) has the molecular formula C31H43N7O3 and a molecular weight of 561.73 g/mol. Its IUPAC name is N-[2-[2-[4-(diethylamino)piperidin-1-yl]-2-oxoethyl]-6-methylindazol-5-yl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-[4-(diethylamino)piperidin-1-yl]-2-oxoethyl]-6-methylindazol-5-yl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carboxamide
• PubChem CID: 144865206
• Molecular Formula: C31H43N7O3
• Molecular Weight: 561.73 g/mol
• Exact Mass: 561.34
• IUPAC Name: N-[2-[2-[4-(diethylamino)piperidin-1-yl]-2-oxoethyl]-6-methylindazol-5-yl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carboxamide
• SMILES: CCN(CC)C1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(N5C[C@@H](C)O[C@@H](C)C5)n4)c(C)cc3n2)CC1
• InChI: InChI=1S/C31H43N7O3/c1-6-35(7-2)25-11-13-36(14-12-25)30(39)20-38-19-24-16-27(21(3)15-28(24)34-38)33-31(40)26-9-8-10-29(32-26)37-17-22(4)41-23(5)18-37/h8-10,15-16,19,22-23,25H,6-7,11-14,17-18,20H2,1-5H3,(H,33,40)/t22-,23+
• InChIKey: RRCFKAQFOOROTL-ZRZAMGCNSA-N
• XLogP: 3.94
• TPSA: 95.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.73
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-(diethylamino)piperidin-1-yl]-2-oxoethyl]-6-methylindazol-5-yl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carboxamide?

The IUPAC name of N-[2-[2-[4-(diethylamino)piperidin-1-yl]-2-oxoethyl]-6-methylindazol-5-yl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carboxamide (CID 144865206) is N-[2-[2-[4-(diethylamino)piperidin-1-yl]-2-oxoethyl]-6-methylindazol-5-yl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-[2-[2-[4-(diethylamino)piperidin-1-yl]-2-oxoethyl]-6-methylindazol-5-yl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carboxamide?

The canonical SMILES for N-[2-[2-[4-(diethylamino)piperidin-1-yl]-2-oxoethyl]-6-methylindazol-5-yl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carboxamide is CCN(CC)C1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(N5C[C@@H](C)O[C@@H](C)C5)n4)c(C)cc3n2)CC1.

What is the InChIKey of N-[2-[2-[4-(diethylamino)piperidin-1-yl]-2-oxoethyl]-6-methylindazol-5-yl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carboxamide?

The InChIKey is RRCFKAQFOOROTL-ZRZAMGCNSA-N. The full InChI is InChI=1S/C31H43N7O3/c1-6-35(7-2)25-11-13-36(14-12-25)30(39)20-38-19-24-16-27(21(3)15-28(24)34-38)33-31(40)26-9-8-10-29(32-26)37-17-22(4)41-23(5)18-37/h8-10,15-16,19,22-23,25H,6-7,11-14,17-18,20H2,1-5H3,(H,33,40)/t22-,23+.

What are the key properties of N-[2-[2-[4-(diethylamino)piperidin-1-yl]-2-oxoethyl]-6-methylindazol-5-yl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carboxamide?

N-[2-[2-[4-(diethylamino)piperidin-1-yl]-2-oxoethyl]-6-methylindazol-5-yl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carboxamide has a molecular weight of 561.73 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[4-(diethylamino)piperidin-1-yl]-2-oxoethyl]-6-methylindazol-5-yl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 144865206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).