2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one

C20H24N6O2 — CID 90454507

IUPAC2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one
SMILESCc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cnn(C)c3)c(=O)n(C)n2)nc1
InChIInChI=1S/C20H24N6O2/c1-13-4-5-17(21-8-13)16-6-15(16)12-28-19-7-18(20(27)26(3)24-19)22-9-14-10-23-25(2)11-14/h4-5,7-8,10-11,15-16,22H,6,9,12H2,1-3H3/t15-,16+/m1/s1
InChIKeyXFQFOFMRXLQIRL-CVEARBPZSA-N
MW380.45 g/mol
LogP2.01
Rot. Bonds7

About 2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one

2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one (PubChem CID 90454507) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one
PubChem CID90454507
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one
SMILESCc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cnn(C)c3)c(=O)n(C)n2)nc1
InChIInChI=1S/C20H24N6O2/c1-13-4-5-17(21-8-13)16-6-15(16)12-28-19-7-18(20(27)26(3)24-19)22-9-14-10-23-25(2)11-14/h4-5,7-8,10-11,15-16,22H,6,9,12H2,1-3H3/t15-,16+/m1/s1
InChIKeyXFQFOFMRXLQIRL-CVEARBPZSA-N
XLogP2.01
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one?
The IUPAC name of 2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one (CID 90454507) is 2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one.
What is the SMILES notation for 2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one?
The canonical SMILES for 2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one is Cc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cnn(C)c3)c(=O)n(C)n2)nc1.
What is the InChIKey of 2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one?
The InChIKey is XFQFOFMRXLQIRL-CVEARBPZSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-13-4-5-17(21-8-13)16-6-15(16)12-28-19-7-18(20(27)26(3)24-19)22-9-14-10-23-25(2)11-14/h4-5,7-8,10-11,15-16,22H,6,9,12H2,1-3H3/t15-,16+/m1/s1.
What are the key properties of 2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one?
2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one has a molecular weight of 380.45 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one is sourced from PubChem (CID 90454507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).