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

C21H26N6O2 — CID 86271609

IUPAC4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropyl]methoxy]pyridazin-3-one
SMILESCc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccn(C)n3)nn(C)c2=O)c(C)n1
InChIInChI=1S/C21H26N6O2/c1-13-5-6-15(14(2)23-13)11-22-19-10-20(25-27(4)21(19)28)29-12-16-9-17(16)18-7-8-26(3)24-18/h5-8,10,16-17,22H,9,11-12H2,1-4H3/t16-,17+/m1/s1
InChIKeyCCCDFHJNABCGQN-SJORKVTESA-N
MW394.48 g/mol
LogP2.32
Rot. Bonds7

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

4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropyl]methoxy]pyridazin-3-one (PubChem CID 86271609) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropyl]methoxy]pyridazin-3-one.

Molecular Properties

Compound Name4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropyl]methoxy]pyridazin-3-one
PubChem CID86271609
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropyl]methoxy]pyridazin-3-one
SMILESCc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccn(C)n3)nn(C)c2=O)c(C)n1
InChIInChI=1S/C21H26N6O2/c1-13-5-6-15(14(2)23-13)11-22-19-10-20(25-27(4)21(19)28)29-12-16-9-17(16)18-7-8-26(3)24-18/h5-8,10,16-17,22H,9,11-12H2,1-4H3/t16-,17+/m1/s1
InChIKeyCCCDFHJNABCGQN-SJORKVTESA-N
XLogP2.32
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropyl]methoxy]pyridazin-3-one?
The IUPAC name of 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropyl]methoxy]pyridazin-3-one (CID 86271609) is 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropyl]methoxy]pyridazin-3-one.
What is the SMILES notation for 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropyl]methoxy]pyridazin-3-one?
The canonical SMILES for 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropyl]methoxy]pyridazin-3-one is Cc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccn(C)n3)nn(C)c2=O)c(C)n1.
What is the InChIKey of 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropyl]methoxy]pyridazin-3-one?
The InChIKey is CCCDFHJNABCGQN-SJORKVTESA-N. The full InChI is InChI=1S/C21H26N6O2/c1-13-5-6-15(14(2)23-13)11-22-19-10-20(25-27(4)21(19)28)29-12-16-9-17(16)18-7-8-26(3)24-18/h5-8,10,16-17,22H,9,11-12H2,1-4H3/t16-,17+/m1/s1.
What are the key properties of 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropyl]methoxy]pyridazin-3-one?
4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropyl]methoxy]pyridazin-3-one has a molecular weight of 394.48 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropyl]methoxy]pyridazin-3-one is sourced from PubChem (CID 86271609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).