N-[2-[1-[[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-fluorobenzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide

C44H53FN8O5 — CID 170051304

About N-[2-[1-[[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-fluorobenzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide

N-[2-[1-[[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-fluorobenzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide (PubChem CID 170051304) has the molecular formula C44H53FN8O5 and a molecular weight of 792.96 g/mol. Its IUPAC name is N-[2-[1-[[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-fluorobenzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[1-[[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-fluorobenzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide
• PubChem CID: 170051304
• Molecular Formula: C44H53FN8O5
• Molecular Weight: 792.96 g/mol
• Exact Mass: 792.41
• IUPAC Name: N-[2-[1-[[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-fluorobenzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide
• SMILES: Cc1cccc(C(=O)Nc2cc3cn(C4CCN(CC5CCC6(CC5)CCN(C(=O)c5ccc(F)c(N7CCC(=O)NC7=O)c5)CC6)CC4)nc3cc2C(C)(C)O)n1
• InChI: InChI=1S/C44H53FN8O5/c1-28-5-4-6-35(46-28)40(55)47-37-23-31-27-53(49-36(31)25-33(37)43(2,3)58)32-11-18-50(19-12-32)26-29-9-14-44(15-10-29)16-21-51(22-17-44)41(56)30-7-8-34(45)38(24-30)52-20-13-39(54)48-42(52)57/h4-8,23-25,27,29,32,58H,9-22,26H2,1-3H3,(H,47,55)(H,48,54,57)
• InChIKey: WQVMLHLUDPNCIW-UHFFFAOYSA-N
• XLogP: 6.55
• TPSA: 153.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	792.96
LogP ≤ 5	6.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-fluorobenzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide?

The IUPAC name of N-[2-[1-[[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-fluorobenzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide (CID 170051304) is N-[2-[1-[[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-fluorobenzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide.

What is the SMILES notation for N-[2-[1-[[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-fluorobenzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide?

The canonical SMILES for N-[2-[1-[[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-fluorobenzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)Nc2cc3cn(C4CCN(CC5CCC6(CC5)CCN(C(=O)c5ccc(F)c(N7CCC(=O)NC7=O)c5)CC6)CC4)nc3cc2C(C)(C)O)n1.

What is the InChIKey of N-[2-[1-[[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-fluorobenzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide?

The InChIKey is WQVMLHLUDPNCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H53FN8O5/c1-28-5-4-6-35(46-28)40(55)47-37-23-31-27-53(49-36(31)25-33(37)43(2,3)58)32-11-18-50(19-12-32)26-29-9-14-44(15-10-29)16-21-51(22-17-44)41(56)30-7-8-34(45)38(24-30)52-20-13-39(54)48-42(52)57/h4-8,23-25,27,29,32,58H,9-22,26H2,1-3H3,(H,47,55)(H,48,54,57).

What are the key properties of N-[2-[1-[[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-fluorobenzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide?

N-[2-[1-[[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-fluorobenzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 792.96 g/mol, XLogP of 6.55, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-fluorobenzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 170051304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).