N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-chloro-8-methoxyimidazo[1,2-b]pyridazine-3-carboxamide

C21H21ClN6O4 — CID 137413250

IUPACN-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-chloro-8-methoxyimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCOc1cc(Cl)nn2c(C(=O)NC3CC4(C3)CC(Oc3ncccc3C(N)=O)C4)cnc12
InChIInChI=1S/C21H21ClN6O4/c1-31-15-5-16(22)27-28-14(10-25-18(15)28)19(30)26-11-6-21(7-11)8-12(9-21)32-20-13(17(23)29)3-2-4-24-20/h2-5,10-12H,6-9H2,1H3,(H2,23,29)(H,26,30)
InChIKeyVTKWDEYXJNLUBZ-UHFFFAOYSA-N
MW456.89 g/mol
LogP2.01
Rot. Bonds6

About N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-chloro-8-methoxyimidazo[1,2-b]pyridazine-3-carboxamide

N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-chloro-8-methoxyimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 137413250) has the molecular formula C21H21ClN6O4 and a molecular weight of 456.89 g/mol. Its IUPAC name is N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-chloro-8-methoxyimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-chloro-8-methoxyimidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID137413250
Molecular FormulaC21H21ClN6O4
Molecular Weight456.89 g/mol
Exact Mass456.13
IUPAC NameN-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-chloro-8-methoxyimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCOc1cc(Cl)nn2c(C(=O)NC3CC4(C3)CC(Oc3ncccc3C(N)=O)C4)cnc12
InChIInChI=1S/C21H21ClN6O4/c1-31-15-5-16(22)27-28-14(10-25-18(15)28)19(30)26-11-6-21(7-11)8-12(9-21)32-20-13(17(23)29)3-2-4-24-20/h2-5,10-12H,6-9H2,1H3,(H2,23,29)(H,26,30)
InChIKeyVTKWDEYXJNLUBZ-UHFFFAOYSA-N
XLogP2.01
TPSA133.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.89
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[6-[(2,5-dimethylpyrazole-3-carbonyl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 137406181
N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-8-cyclopropylimidazo[1,2-a]pyridine-3-carboxamide
CID 130248314
N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-7-[(3R)-3-hydroxypyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 157022094
7-bromo-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-(2,2-difluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 137413453
2-[6-[[5-methyl-1-(4-methylsulfonylphenyl)pyrazole-4-carbonyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 137406315
N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-7-cyclopropyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 156699738
N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-[(2R)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 156699722
2-[6-[[3-(2-methyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)benzoyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 130248556
N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 157022093
2-[6-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 153496207
2-[6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 146586000
2-[6-[[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 146586035

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-chloro-8-methoxyimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-chloro-8-methoxyimidazo[1,2-b]pyridazine-3-carboxamide (CID 137413250) is N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-chloro-8-methoxyimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-chloro-8-methoxyimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-chloro-8-methoxyimidazo[1,2-b]pyridazine-3-carboxamide is COc1cc(Cl)nn2c(C(=O)NC3CC4(C3)CC(Oc3ncccc3C(N)=O)C4)cnc12.
What is the InChIKey of N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-chloro-8-methoxyimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is VTKWDEYXJNLUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN6O4/c1-31-15-5-16(22)27-28-14(10-25-18(15)28)19(30)26-11-6-21(7-11)8-12(9-21)32-20-13(17(23)29)3-2-4-24-20/h2-5,10-12H,6-9H2,1H3,(H2,23,29)(H,26,30).
What are the key properties of N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-chloro-8-methoxyimidazo[1,2-b]pyridazine-3-carboxamide?
N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-chloro-8-methoxyimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 456.89 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-chloro-8-methoxyimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 137413250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).