N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide

C26H31ClFN7O2 — CID 172540090

About N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide

N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide (PubChem CID 172540090) has the molecular formula C26H31ClFN7O2 and a molecular weight of 528.03 g/mol. Its IUPAC name is N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide
• PubChem CID: 172540090
• Molecular Formula: C26H31ClFN7O2
• Molecular Weight: 528.03 g/mol
• Exact Mass: 527.22
• IUPAC Name: N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide
• SMILES: CCn1cc(Cl)c2cc(C(=O)NC3CCc4nc(N5CC(N)C6(C5)OCCC6C)c(F)cc4C3)nnc21
• InChI: InChI=1S/C26H31ClFN7O2/c1-3-34-11-18(27)17-10-21(32-33-23(17)34)25(36)30-16-4-5-20-15(8-16)9-19(28)24(31-20)35-12-22(29)26(13-35)14(2)6-7-37-26/h9-11,14,16,22H,3-8,12-13,29H2,1-2H3,(H,30,36)
• InChIKey: URSBXMVOQFRTJI-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 111.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.03
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?

The IUPAC name of N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide (CID 172540090) is N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide.

What is the SMILES notation for N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?

The canonical SMILES for N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide is CCn1cc(Cl)c2cc(C(=O)NC3CCc4nc(N5CC(N)C6(C5)OCCC6C)c(F)cc4C3)nnc21.

What is the InChIKey of N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?

The InChIKey is URSBXMVOQFRTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClFN7O2/c1-3-34-11-18(27)17-10-21(32-33-23(17)34)25(36)30-16-4-5-20-15(8-16)9-19(28)24(31-20)35-12-22(29)26(13-35)14(2)6-7-37-26/h9-11,14,16,22H,3-8,12-13,29H2,1-2H3,(H,30,36).

What are the key properties of N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?

N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide has a molecular weight of 528.03 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide is sourced from PubChem (CID 172540090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).