N-[2-(4-amino-7-oxa-2-azaspiro[4.5]decan-2-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide

C26H32ClN7O2 — CID 172539885

About N-[2-(4-amino-7-oxa-2-azaspiro[4.5]decan-2-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide

N-[2-(4-amino-7-oxa-2-azaspiro[4.5]decan-2-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide (PubChem CID 172539885) has the molecular formula C26H32ClN7O2 and a molecular weight of 510.04 g/mol. Its IUPAC name is N-[2-(4-amino-7-oxa-2-azaspiro[4.5]decan-2-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-amino-7-oxa-2-azaspiro[4.5]decan-2-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide
• PubChem CID: 172539885
• Molecular Formula: C26H32ClN7O2
• Molecular Weight: 510.04 g/mol
• Exact Mass: 509.23
• IUPAC Name: N-[2-(4-amino-7-oxa-2-azaspiro[4.5]decan-2-yl)-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(CCCOC6)C5)ccc4C3)nnc21
• InChI: InChI=1S/C26H32ClN7O2/c1-2-33-12-19(27)18-11-21(31-32-24(18)33)25(35)29-17-5-6-20-16(10-17)4-7-23(30-20)34-13-22(28)26(14-34)8-3-9-36-15-26/h4,7,11-12,17,22H,2-3,5-6,8-10,13-15,28H2,1H3,(H,29,35)
• InChIKey: ZLEWFLVUDPCRRH-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 111.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.04
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-7-oxa-2-azaspiro[4.5]decan-2-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?

The IUPAC name of N-[2-(4-amino-7-oxa-2-azaspiro[4.5]decan-2-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide (CID 172539885) is N-[2-(4-amino-7-oxa-2-azaspiro[4.5]decan-2-yl)-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-(4-amino-7-oxa-2-azaspiro[4.5]decan-2-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?

The canonical SMILES for N-[2-(4-amino-7-oxa-2-azaspiro[4.5]decan-2-yl)-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(CCCOC6)C5)ccc4C3)nnc21.

What is the InChIKey of N-[2-(4-amino-7-oxa-2-azaspiro[4.5]decan-2-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?

The InChIKey is ZLEWFLVUDPCRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN7O2/c1-2-33-12-19(27)18-11-21(31-32-24(18)33)25(35)29-17-5-6-20-16(10-17)4-7-23(30-20)34-13-22(28)26(14-34)8-3-9-36-15-26/h4,7,11-12,17,22H,2-3,5-6,8-10,13-15,28H2,1H3,(H,29,35).

What are the key properties of N-[2-(4-amino-7-oxa-2-azaspiro[4.5]decan-2-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide?

N-[2-(4-amino-7-oxa-2-azaspiro[4.5]decan-2-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide has a molecular weight of 510.04 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-amino-7-oxa-2-azaspiro[4.5]decan-2-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-5-chloro-7-ethylpyrrolo[2,3-c]pyridazine-3-carboxamide is sourced from PubChem (CID 172539885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).