4-[(2,5-dimethylpyrazol-3-yl)methylamino]-6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one

C21H26N6O3 — CID 123233992

IUPAC4-[(2,5-dimethylpyrazol-3-yl)methylamino]-6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one
SMILESCOc1ccc(C2CC2COc2cc(NCc3cc(C)nn3C)c(=O)n(C)n2)nc1
InChIInChI=1S/C21H26N6O3/c1-13-7-15(26(2)24-13)10-22-19-9-20(25-27(3)21(19)28)30-12-14-8-17(14)18-6-5-16(29-4)11-23-18/h5-7,9,11,14,17,22H,8,10,12H2,1-4H3
InChIKeyKYWLZFBUNASRGW-UHFFFAOYSA-N
MW410.48 g/mol
LogP2.02
Rot. Bonds8

About 4-[(2,5-dimethylpyrazol-3-yl)methylamino]-6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one

4-[(2,5-dimethylpyrazol-3-yl)methylamino]-6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one (PubChem CID 123233992) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is 4-[(2,5-dimethylpyrazol-3-yl)methylamino]-6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-[(2,5-dimethylpyrazol-3-yl)methylamino]-6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one
PubChem CID123233992
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC Name4-[(2,5-dimethylpyrazol-3-yl)methylamino]-6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one
SMILESCOc1ccc(C2CC2COc2cc(NCc3cc(C)nn3C)c(=O)n(C)n2)nc1
InChIInChI=1S/C21H26N6O3/c1-13-7-15(26(2)24-13)10-22-19-9-20(25-27(3)21(19)28)30-12-14-8-17(14)18-6-5-16(29-4)11-23-18/h5-7,9,11,14,17,22H,8,10,12H2,1-4H3
InChIKeyKYWLZFBUNASRGW-UHFFFAOYSA-N
XLogP2.02
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[(2,5-dimethylpyrazol-3-yl)methylamino]-6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one with MolForge

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Related Compounds

Cyp4A11/cyp4F2-IN-2
CID 130360508
4-(4-Fluorophenyl)-5-[(1-methylpyrazol-3-yl)methoxy]pyridine-2-carboxamide
CID 122539788
N-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]cyclohexyl]acetamide
CID 130360895
1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethanone
CID 155790580
cyclopropyl-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 155790650
1-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethanone
CID 155790660
methyl 4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 155790698
N-methyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-carboxamide
CID 156061386
6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-(pyridin-3-ylmethylamino)pyridazin-3-one
CID 86270493
6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(6-methylpyridazin-3-yl)methylamino]pyridazin-3-one
CID 86270495
6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyridazin-3-one
CID 86270669
6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridazin-3-one
CID 86270671

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylpyrazol-3-yl)methylamino]-6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one?
The IUPAC name of 4-[(2,5-dimethylpyrazol-3-yl)methylamino]-6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one (CID 123233992) is 4-[(2,5-dimethylpyrazol-3-yl)methylamino]-6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-[(2,5-dimethylpyrazol-3-yl)methylamino]-6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one?
The canonical SMILES for 4-[(2,5-dimethylpyrazol-3-yl)methylamino]-6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one is COc1ccc(C2CC2COc2cc(NCc3cc(C)nn3C)c(=O)n(C)n2)nc1.
What is the InChIKey of 4-[(2,5-dimethylpyrazol-3-yl)methylamino]-6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one?
The InChIKey is KYWLZFBUNASRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-13-7-15(26(2)24-13)10-22-19-9-20(25-27(3)21(19)28)30-12-14-8-17(14)18-6-5-16(29-4)11-23-18/h5-7,9,11,14,17,22H,8,10,12H2,1-4H3.
What are the key properties of 4-[(2,5-dimethylpyrazol-3-yl)methylamino]-6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one?
4-[(2,5-dimethylpyrazol-3-yl)methylamino]-6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one has a molecular weight of 410.48 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylpyrazol-3-yl)methylamino]-6-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one is sourced from PubChem (CID 123233992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).