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

C22H28N6O2 — CID 118662875

IUPAC4-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one
SMILESCCc1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(C)cn3)nn(C)c2=O)n(C)n1
InChIInChI=1S/C22H28N6O2/c1-5-16-9-17(27(3)25-16)12-24-20-10-21(26-28(4)22(20)29)30-13-15-8-18(15)19-7-6-14(2)11-23-19/h6-7,9-11,15,18,24H,5,8,12-13H2,1-4H3/t15-,18+/m1/s1
InChIKeySPXDPBNLIJZYEL-QAPCUYQASA-N
MW408.51 g/mol
LogP2.57
Rot. Bonds8

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

4-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one (PubChem CID 118662875) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 4-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one.

Molecular Properties

Compound Name4-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one
PubChem CID118662875
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name4-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one
SMILESCCc1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(C)cn3)nn(C)c2=O)n(C)n1
InChIInChI=1S/C22H28N6O2/c1-5-16-9-17(27(3)25-16)12-24-20-10-21(26-28(4)22(20)29)30-13-15-8-18(15)19-7-6-14(2)11-23-19/h6-7,9-11,15,18,24H,5,8,12-13H2,1-4H3/t15-,18+/m1/s1
InChIKeySPXDPBNLIJZYEL-QAPCUYQASA-N
XLogP2.57
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one?
The IUPAC name of 4-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one (CID 118662875) is 4-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one.
What is the SMILES notation for 4-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one?
The canonical SMILES for 4-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one is CCc1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(C)cn3)nn(C)c2=O)n(C)n1.
What is the InChIKey of 4-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one?
The InChIKey is SPXDPBNLIJZYEL-QAPCUYQASA-N. The full InChI is InChI=1S/C22H28N6O2/c1-5-16-9-17(27(3)25-16)12-24-20-10-21(26-28(4)22(20)29)30-13-15-8-18(15)19-7-6-14(2)11-23-19/h6-7,9-11,15,18,24H,5,8,12-13H2,1-4H3/t15-,18+/m1/s1.
What are the key properties of 4-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one?
4-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one has a molecular weight of 408.51 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one is sourced from PubChem (CID 118662875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).