N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide

C22H22N6O3 — CID 146267978

IUPACN-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide
SMILESCn1cc(-c2cc(Oc3ccc(NC(=O)N4CCC5(CCC5)C4=O)nc3)ccn2)cn1
InChIInChI=1S/C22H22N6O3/c1-27-14-15(12-25-27)18-11-16(5-9-23-18)31-17-3-4-19(24-13-17)26-21(30)28-10-8-22(20(28)29)6-2-7-22/h3-5,9,11-14H,2,6-8,10H2,1H3,(H,24,26,30)
InChIKeyLDFNWQUVEYWFOH-UHFFFAOYSA-N
MW418.46 g/mol
LogP3.60
Rot. Bonds4

About N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide

N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide (PubChem CID 146267978) has the molecular formula C22H22N6O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide
PubChem CID146267978
Molecular FormulaC22H22N6O3
Molecular Weight418.46 g/mol
Exact Mass418.18
IUPAC NameN-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide
SMILESCn1cc(-c2cc(Oc3ccc(NC(=O)N4CCC5(CCC5)C4=O)nc3)ccn2)cn1
InChIInChI=1S/C22H22N6O3/c1-27-14-15(12-25-27)18-11-16(5-9-23-18)31-17-3-4-19(24-13-17)26-21(30)28-10-8-22(20(28)29)6-2-7-22/h3-5,9,11-14H,2,6-8,10H2,1H3,(H,24,26,30)
InChIKeyLDFNWQUVEYWFOH-UHFFFAOYSA-N
XLogP3.60
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

Vimseltinib
CID 86267612
2,2-dimethyl-N-[(6-methyl-5-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}pyridin-2-yl)carbamoyl]propanamide
CID 86270079
Pimicotinib
CID 139549388
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]acetamide
CID 25138078
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[5-(2-methoxyethoxy)pyridin-3-yl]pyrimidin-4-yl]acetamide
CID 25138080
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]propanamide
CID 25138082
2-(4-fluorophenyl)-N-[[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide
CID 46208889
2-(4-fluorophenyl)-N-[[4-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide
CID 67400337
2-(isopropylamino)-5-(6-methyl-5-((2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl)oxy)pyridin-2-yl)pyrimidin-4(3H)-one
CID 86267405
5-(6-methyl-5-((2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl)oxy)pyridin-2-yl)-2-(methylamino)pyrimidin-4(3H)-one
CID 86267409
2-(ethylamino)-5-(5-((2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl)oxy)pyridin-2-yl)pyrimidin-4(3H)-one
CID 86267410
N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
CID 86267433

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide?
The IUPAC name of N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide (CID 146267978) is N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide.
What is the SMILES notation for N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide?
The canonical SMILES for N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide is Cn1cc(-c2cc(Oc3ccc(NC(=O)N4CCC5(CCC5)C4=O)nc3)ccn2)cn1.
What is the InChIKey of N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide?
The InChIKey is LDFNWQUVEYWFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3/c1-27-14-15(12-25-27)18-11-16(5-9-23-18)31-17-3-4-19(24-13-17)26-21(30)28-10-8-22(20(28)29)6-2-7-22/h3-5,9,11-14H,2,6-8,10H2,1H3,(H,24,26,30).
What are the key properties of N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide?
N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide is sourced from PubChem (CID 146267978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).