6-(2-azaspiro[4.5]decan-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide

C22H32N6O3 — CID 167517970

IUPAC6-(2-azaspiro[4.5]decan-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
SMILESCOC[C@H](C)NC(=O)c1cc(N2CCC3(CCCCC3)C2)nn(-c2cnn(C)c2)c1=O
InChIInChI=1S/C22H32N6O3/c1-16(14-31-3)24-20(29)18-11-19(25-28(21(18)30)17-12-23-26(2)13-17)27-10-9-22(15-27)7-5-4-6-8-22/h11-13,16H,4-10,14-15H2,1-3H3,(H,24,29)/t16-/m0/s1
InChIKeyKIBBSBBHISFZCS-INIZCTEOSA-N
MW428.54 g/mol
LogP1.89
Rot. Bonds6

About 6-(2-azaspiro[4.5]decan-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide

6-(2-azaspiro[4.5]decan-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide (PubChem CID 167517970) has the molecular formula C22H32N6O3 and a molecular weight of 428.54 g/mol. Its IUPAC name is 6-(2-azaspiro[4.5]decan-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide.

Molecular Properties

Compound Name6-(2-azaspiro[4.5]decan-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
PubChem CID167517970
Molecular FormulaC22H32N6O3
Molecular Weight428.54 g/mol
Exact Mass428.25
IUPAC Name6-(2-azaspiro[4.5]decan-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
SMILESCOC[C@H](C)NC(=O)c1cc(N2CCC3(CCCCC3)C2)nn(-c2cnn(C)c2)c1=O
InChIInChI=1S/C22H32N6O3/c1-16(14-31-3)24-20(29)18-11-19(25-28(21(18)30)17-12-23-26(2)13-17)27-10-9-22(15-27)7-5-4-6-8-22/h11-13,16H,4-10,14-15H2,1-3H3,(H,24,29)/t16-/m0/s1
InChIKeyKIBBSBBHISFZCS-INIZCTEOSA-N
XLogP1.89
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxo-6-(4-propan-2-ylphenyl)pyridazine-4-carboxamide
CID 167517966
N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-6-(4-methylsulfonylphenyl)-3-oxopyridazine-4-carboxamide
CID 167517940
6-(4-tert-butylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide;6-(4-ethylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 167517932
6-(2-aminoquinolin-6-yl)-N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 167517953
6-(3,4-dimethylphenyl)-N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 167518042
6-[4-(difluoromethoxy)phenyl]-N-(1-hydroxypropan-2-yl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 155337552
N-[(2R)-1-hydroxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxo-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide
CID 135304788
6-(4-chlorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 135304175
6-[6-(4-fluorophenyl)-3-pyridinyl]-N-[(2S)-1-hydroxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 167518069
[2-[[6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carbonyl]amino]-3-hydroxypropyl] dimethyl phosphate
CID 175278092
N-(1-amino-1-oxopropan-2-yl)-6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 167517948
6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrazol-4-yl)ethyl]-3-oxopyridazine-4-carboxamide
CID 175278146

Frequently Asked Questions

What is the IUPAC name of 6-(2-azaspiro[4.5]decan-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide?
The IUPAC name of 6-(2-azaspiro[4.5]decan-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide (CID 167517970) is 6-(2-azaspiro[4.5]decan-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide.
What is the SMILES notation for 6-(2-azaspiro[4.5]decan-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide?
The canonical SMILES for 6-(2-azaspiro[4.5]decan-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide is COC[C@H](C)NC(=O)c1cc(N2CCC3(CCCCC3)C2)nn(-c2cnn(C)c2)c1=O.
What is the InChIKey of 6-(2-azaspiro[4.5]decan-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide?
The InChIKey is KIBBSBBHISFZCS-INIZCTEOSA-N. The full InChI is InChI=1S/C22H32N6O3/c1-16(14-31-3)24-20(29)18-11-19(25-28(21(18)30)17-12-23-26(2)13-17)27-10-9-22(15-27)7-5-4-6-8-22/h11-13,16H,4-10,14-15H2,1-3H3,(H,24,29)/t16-/m0/s1.
What are the key properties of 6-(2-azaspiro[4.5]decan-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide?
6-(2-azaspiro[4.5]decan-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-azaspiro[4.5]decan-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 167517970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).