2-[(7S,8S)-2,7-dimethyl-3-oxo-2-azaspiro[4.5]decan-8-yl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide

C26H29N7O3 — CID 163396381

IUPAC2-[(7S,8S)-2,7-dimethyl-3-oxo-2-azaspiro[4.5]decan-8-yl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
SMILESCOc1cc2nn([C@H]3CCC4(CC(=O)N(C)C4)C[C@@H]3C)cc2cc1C(=O)Nc1cnc2cccnn12
InChIInChI=1S/C26H29N7O3/c1-16-11-26(12-24(34)31(2)15-26)7-6-20(16)32-14-17-9-18(21(36-3)10-19(17)30-32)25(35)29-23-13-27-22-5-4-8-28-33(22)23/h4-5,8-10,13-14,16,20H,6-7,11-12,15H2,1-3H3,(H,29,35)/t16-,20-,26?/m0/s1
InChIKeyFPKKDOBYMSIEKC-DDYWFNJBSA-N
MW487.56 g/mol
LogP3.55
Rot. Bonds4

About 2-[(7S,8S)-2,7-dimethyl-3-oxo-2-azaspiro[4.5]decan-8-yl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide

2-[(7S,8S)-2,7-dimethyl-3-oxo-2-azaspiro[4.5]decan-8-yl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide (PubChem CID 163396381) has the molecular formula C26H29N7O3 and a molecular weight of 487.56 g/mol. Its IUPAC name is 2-[(7S,8S)-2,7-dimethyl-3-oxo-2-azaspiro[4.5]decan-8-yl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide.

Molecular Properties

Compound Name2-[(7S,8S)-2,7-dimethyl-3-oxo-2-azaspiro[4.5]decan-8-yl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
PubChem CID163396381
Molecular FormulaC26H29N7O3
Molecular Weight487.56 g/mol
Exact Mass487.23
IUPAC Name2-[(7S,8S)-2,7-dimethyl-3-oxo-2-azaspiro[4.5]decan-8-yl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
SMILESCOc1cc2nn([C@H]3CCC4(CC(=O)N(C)C4)C[C@@H]3C)cc2cc1C(=O)Nc1cnc2cccnn12
InChIInChI=1S/C26H29N7O3/c1-16-11-26(12-24(34)31(2)15-26)7-6-20(16)32-14-17-9-18(21(36-3)10-19(17)30-32)25(35)29-23-13-27-22-5-4-8-28-33(22)23/h4-5,8-10,13-14,16,20H,6-7,11-12,15H2,1-3H3,(H,29,35)/t16-,20-,26?/m0/s1
InChIKeyFPKKDOBYMSIEKC-DDYWFNJBSA-N
XLogP3.55
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[(7S,8S)-2,7-dimethyl-3-oxo-2-azaspiro[4.5]decan-8-yl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(7S,8S)-2,7-dimethyl-3-oxo-2-azaspiro[4.5]decan-8-yl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide?
The IUPAC name of 2-[(7S,8S)-2,7-dimethyl-3-oxo-2-azaspiro[4.5]decan-8-yl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide (CID 163396381) is 2-[(7S,8S)-2,7-dimethyl-3-oxo-2-azaspiro[4.5]decan-8-yl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide.
What is the SMILES notation for 2-[(7S,8S)-2,7-dimethyl-3-oxo-2-azaspiro[4.5]decan-8-yl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide?
The canonical SMILES for 2-[(7S,8S)-2,7-dimethyl-3-oxo-2-azaspiro[4.5]decan-8-yl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide is COc1cc2nn([C@H]3CCC4(CC(=O)N(C)C4)C[C@@H]3C)cc2cc1C(=O)Nc1cnc2cccnn12.
What is the InChIKey of 2-[(7S,8S)-2,7-dimethyl-3-oxo-2-azaspiro[4.5]decan-8-yl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide?
The InChIKey is FPKKDOBYMSIEKC-DDYWFNJBSA-N. The full InChI is InChI=1S/C26H29N7O3/c1-16-11-26(12-24(34)31(2)15-26)7-6-20(16)32-14-17-9-18(21(36-3)10-19(17)30-32)25(35)29-23-13-27-22-5-4-8-28-33(22)23/h4-5,8-10,13-14,16,20H,6-7,11-12,15H2,1-3H3,(H,29,35)/t16-,20-,26?/m0/s1.
What are the key properties of 2-[(7S,8S)-2,7-dimethyl-3-oxo-2-azaspiro[4.5]decan-8-yl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide?
2-[(7S,8S)-2,7-dimethyl-3-oxo-2-azaspiro[4.5]decan-8-yl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide has a molecular weight of 487.56 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7S,8S)-2,7-dimethyl-3-oxo-2-azaspiro[4.5]decan-8-yl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide is sourced from PubChem (CID 163396381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).