N-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]-1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-7-fluoro-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide

C40H49FN8O6 — CID 164720791

About N-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]-1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-7-fluoro-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide

N-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]-1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-7-fluoro-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide (PubChem CID 164720791) has the molecular formula C40H49FN8O6 and a molecular weight of 756.88 g/mol. Its IUPAC name is N-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]-1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-7-fluoro-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]-1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-7-fluoro-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide
• PubChem CID: 164720791
• Molecular Formula: C40H49FN8O6
• Molecular Weight: 756.88 g/mol
• Exact Mass: 756.38
• IUPAC Name: N-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]-1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-7-fluoro-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide
• SMILES: COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(OC)c1CN1CCC(N(C)C(=O)C2CCN(c3ccc4c(N5CCC(=O)NC5=O)n[nH]c4c3F)CC2)CC1
• InChI: InChI=1S/C40H49FN8O6/c1-23-24(2)38(51)45(3)21-29(23)26-19-32(54-5)30(33(20-26)55-6)22-47-14-11-27(12-15-47)46(4)39(52)25-9-16-48(17-10-25)31-8-7-28-36(35(31)41)43-44-37(28)49-18-13-34(50)42-40(49)53/h7-8,19-21,25,27H,9-18,22H2,1-6H3,(H,43,44)(H,42,50,53)
• InChIKey: DFSMOMYFNSXNBG-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 145.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	756.88
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]-1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-7-fluoro-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide?

The IUPAC name of N-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]-1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-7-fluoro-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide (CID 164720791) is N-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]-1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-7-fluoro-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide.

What is the SMILES notation for N-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]-1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-7-fluoro-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide?

The canonical SMILES for N-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]-1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-7-fluoro-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide is COc1cc(-c2cn(C)c(=O)c(C)c2C)cc(OC)c1CN1CCC(N(C)C(=O)C2CCN(c3ccc4c(N5CCC(=O)NC5=O)n[nH]c4c3F)CC2)CC1.

What is the InChIKey of N-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]-1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-7-fluoro-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide?

The InChIKey is DFSMOMYFNSXNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H49FN8O6/c1-23-24(2)38(51)45(3)21-29(23)26-19-32(54-5)30(33(20-26)55-6)22-47-14-11-27(12-15-47)46(4)39(52)25-9-16-48(17-10-25)31-8-7-28-36(35(31)41)43-44-37(28)49-18-13-34(50)42-40(49)53/h7-8,19-21,25,27H,9-18,22H2,1-6H3,(H,43,44)(H,42,50,53).

What are the key properties of N-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]-1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-7-fluoro-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide?

N-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]-1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-7-fluoro-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide has a molecular weight of 756.88 g/mol, XLogP of 4.49, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]-1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-7-fluoro-1H-indazol-6-yl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 164720791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).