N-[2-[1-[2-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]ethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide

C43H51ClN8O5 — CID 170051308

About N-[2-[1-[2-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]ethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide

N-[2-[1-[2-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]ethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide (PubChem CID 170051308) has the molecular formula C43H51ClN8O5 and a molecular weight of 795.39 g/mol. Its IUPAC name is N-[2-[1-[2-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]ethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[1-[2-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]ethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
• PubChem CID: 170051308
• Molecular Formula: C43H51ClN8O5
• Molecular Weight: 795.39 g/mol
• Exact Mass: 794.37
• IUPAC Name: N-[2-[1-[2-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]ethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
• SMILES: COc1cc2nn(C3CCN(CCC4CCC5(CC4)CCN(C(=O)c4ccc(Cl)c(N6CCC(=O)NC6=O)c4)CC5)CC3)cc2cc1NC(=O)c1cccc(C)n1
• InChI: InChI=1S/C43H51ClN8O5/c1-28-4-3-5-34(45-28)40(54)46-36-24-31-27-52(48-35(31)26-38(36)57-2)32-11-19-49(20-12-32)18-10-29-8-14-43(15-9-29)16-22-50(23-17-43)41(55)30-6-7-33(44)37(25-30)51-21-13-39(53)47-42(51)56/h3-7,24-27,29,32H,8-23H2,1-2H3,(H,46,54)(H,47,53,56)
• InChIKey: PDFVNUZHOGUCFP-UHFFFAOYSA-N
• XLogP: 7.24
• TPSA: 142.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.39
LogP ≤ 5	7.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]ethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide?

The IUPAC name of N-[2-[1-[2-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]ethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide (CID 170051308) is N-[2-[1-[2-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]ethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide.

What is the SMILES notation for N-[2-[1-[2-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]ethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide?

The canonical SMILES for N-[2-[1-[2-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]ethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide is COc1cc2nn(C3CCN(CCC4CCC5(CC4)CCN(C(=O)c4ccc(Cl)c(N6CCC(=O)NC6=O)c4)CC5)CC3)cc2cc1NC(=O)c1cccc(C)n1.

What is the InChIKey of N-[2-[1-[2-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]ethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide?

The InChIKey is PDFVNUZHOGUCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H51ClN8O5/c1-28-4-3-5-34(45-28)40(54)46-36-24-31-27-52(48-35(31)26-38(36)57-2)32-11-19-49(20-12-32)18-10-29-8-14-43(15-9-29)16-22-50(23-17-43)41(55)30-6-7-33(44)37(25-30)51-21-13-39(53)47-42(51)56/h3-7,24-27,29,32H,8-23H2,1-2H3,(H,46,54)(H,47,53,56).

What are the key properties of N-[2-[1-[2-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]ethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide?

N-[2-[1-[2-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]ethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 795.39 g/mol, XLogP of 7.24, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[2-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]ethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 170051308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).