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

C19H21FN6O2 — CID 90454509

IUPAC6-[[(1S,2S)-2-(5-fluoro-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
SMILESCn1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(F)cn3)nn(C)c2=O)cn1
InChIInChI=1S/C19H21FN6O2/c1-25-10-12(8-23-25)7-21-17-6-18(24-26(2)19(17)27)28-11-13-5-15(13)16-4-3-14(20)9-22-16/h3-4,6,8-10,13,15,21H,5,7,11H2,1-2H3/t13-,15+/m1/s1
InChIKeyCARSURPIDVVSNV-HIFRSBDPSA-N
MW384.42 g/mol
LogP1.84
Rot. Bonds7

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

6-[[(1S,2S)-2-(5-fluoro-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one (PubChem CID 90454509) has the molecular formula C19H21FN6O2 and a molecular weight of 384.42 g/mol. Its IUPAC name is 6-[[(1S,2S)-2-(5-fluoro-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name6-[[(1S,2S)-2-(5-fluoro-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
PubChem CID90454509
Molecular FormulaC19H21FN6O2
Molecular Weight384.42 g/mol
Exact Mass384.17
IUPAC Name6-[[(1S,2S)-2-(5-fluoro-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
SMILESCn1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(F)cn3)nn(C)c2=O)cn1
InChIInChI=1S/C19H21FN6O2/c1-25-10-12(8-23-25)7-21-17-6-18(24-26(2)19(17)27)28-11-13-5-15(13)16-4-3-14(20)9-22-16/h3-4,6,8-10,13,15,21H,5,7,11H2,1-2H3/t13-,15+/m1/s1
InChIKeyCARSURPIDVVSNV-HIFRSBDPSA-N
XLogP1.84
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[(1S,2S)-2-(5-fluoro-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one?
The IUPAC name of 6-[[(1S,2S)-2-(5-fluoro-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one (CID 90454509) is 6-[[(1S,2S)-2-(5-fluoro-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one.
What is the SMILES notation for 6-[[(1S,2S)-2-(5-fluoro-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one?
The canonical SMILES for 6-[[(1S,2S)-2-(5-fluoro-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one is Cn1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(F)cn3)nn(C)c2=O)cn1.
What is the InChIKey of 6-[[(1S,2S)-2-(5-fluoro-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one?
The InChIKey is CARSURPIDVVSNV-HIFRSBDPSA-N. The full InChI is InChI=1S/C19H21FN6O2/c1-25-10-12(8-23-25)7-21-17-6-18(24-26(2)19(17)27)28-11-13-5-15(13)16-4-3-14(20)9-22-16/h3-4,6,8-10,13,15,21H,5,7,11H2,1-2H3/t13-,15+/m1/s1.
What are the key properties of 6-[[(1S,2S)-2-(5-fluoro-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one?
6-[[(1S,2S)-2-(5-fluoro-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one has a molecular weight of 384.42 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S,2S)-2-(5-fluoro-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one is sourced from PubChem (CID 90454509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).