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

C22H23N7O3 — CID 167517953

IUPAC6-(2-aminoquinolin-6-yl)-N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
SMILESCOC[C@H](C)NC(=O)c1cc(-c2ccc3nc(N)ccc3c2)nn(-c2cnn(C)c2)c1=O
InChIInChI=1S/C22H23N7O3/c1-13(12-32-3)25-21(30)17-9-19(27-29(22(17)31)16-10-24-28(2)11-16)15-4-6-18-14(8-15)5-7-20(23)26-18/h4-11,13H,12H2,1-3H3,(H2,23,26)(H,25,30)/t13-/m0/s1
InChIKeySNTXHEMFTGQJGX-ZDUSSCGKSA-N
MW433.47 g/mol
LogP1.53
Rot. Bonds6

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

6-(2-aminoquinolin-6-yl)-N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide (PubChem CID 167517953) has the molecular formula C22H23N7O3 and a molecular weight of 433.47 g/mol. Its IUPAC name is 6-(2-aminoquinolin-6-yl)-N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide.

Molecular Properties

Compound Name6-(2-aminoquinolin-6-yl)-N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
PubChem CID167517953
Molecular FormulaC22H23N7O3
Molecular Weight433.47 g/mol
Exact Mass433.19
IUPAC Name6-(2-aminoquinolin-6-yl)-N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
SMILESCOC[C@H](C)NC(=O)c1cc(-c2ccc3nc(N)ccc3c2)nn(-c2cnn(C)c2)c1=O
InChIInChI=1S/C22H23N7O3/c1-13(12-32-3)25-21(30)17-9-19(27-29(22(17)31)16-10-24-28(2)11-16)15-4-6-18-14(8-15)5-7-20(23)26-18/h4-11,13H,12H2,1-3H3,(H2,23,26)(H,25,30)/t13-/m0/s1
InChIKeySNTXHEMFTGQJGX-ZDUSSCGKSA-N
XLogP1.53
TPSA129.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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-(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
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
N-[(2R)-1-hydroxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxo-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide
CID 135304788
6-[6-(4-fluorophenyl)-3-pyridinyl]-N-[(2S)-1-hydroxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 167518069
N-(1-amino-1-oxopropan-2-yl)-6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 167517948
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 142411203
6-(4-chlorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 135304175
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-aminoquinolin-6-yl)-N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide?
The IUPAC name of 6-(2-aminoquinolin-6-yl)-N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide (CID 167517953) is 6-(2-aminoquinolin-6-yl)-N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide.
What is the SMILES notation for 6-(2-aminoquinolin-6-yl)-N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide?
The canonical SMILES for 6-(2-aminoquinolin-6-yl)-N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide is COC[C@H](C)NC(=O)c1cc(-c2ccc3nc(N)ccc3c2)nn(-c2cnn(C)c2)c1=O.
What is the InChIKey of 6-(2-aminoquinolin-6-yl)-N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide?
The InChIKey is SNTXHEMFTGQJGX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H23N7O3/c1-13(12-32-3)25-21(30)17-9-19(27-29(22(17)31)16-10-24-28(2)11-16)15-4-6-18-14(8-15)5-7-20(23)26-18/h4-11,13H,12H2,1-3H3,(H2,23,26)(H,25,30)/t13-/m0/s1.
What are the key properties of 6-(2-aminoquinolin-6-yl)-N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide?
6-(2-aminoquinolin-6-yl)-N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoquinolin-6-yl)-N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 167517953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).