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

C20H24N6O2 — CID 118670784

IUPAC2-methyl-6-[[(1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropyl]methoxy]-4-[(5-methyl-2-pyridinyl)methylamino]pyridazin-3-one
SMILESCc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccn(C)n3)nn(C)c2=O)nc1
InChIInChI=1S/C20H24N6O2/c1-13-4-5-15(21-10-13)11-22-18-9-19(24-26(3)20(18)27)28-12-14-8-16(14)17-6-7-25(2)23-17/h4-7,9-10,14,16,22H,8,11-12H2,1-3H3/t14-,16+/m1/s1
InChIKeyNEGGMMQHSYMMPJ-ZBFHGGJFSA-N
MW380.45 g/mol
LogP2.01
Rot. Bonds7

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

2-methyl-6-[[(1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropyl]methoxy]-4-[(5-methyl-2-pyridinyl)methylamino]pyridazin-3-one (PubChem CID 118670784) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-methyl-6-[[(1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropyl]methoxy]-4-[(5-methyl-2-pyridinyl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[[(1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropyl]methoxy]-4-[(5-methyl-2-pyridinyl)methylamino]pyridazin-3-one
PubChem CID118670784
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name2-methyl-6-[[(1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropyl]methoxy]-4-[(5-methyl-2-pyridinyl)methylamino]pyridazin-3-one
SMILESCc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccn(C)n3)nn(C)c2=O)nc1
InChIInChI=1S/C20H24N6O2/c1-13-4-5-15(21-10-13)11-22-18-9-19(24-26(3)20(18)27)28-12-14-8-16(14)17-6-7-25(2)23-17/h4-7,9-10,14,16,22H,8,11-12H2,1-3H3/t14-,16+/m1/s1
InChIKeyNEGGMMQHSYMMPJ-ZBFHGGJFSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[(1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropyl]methoxy]-4-[(5-methyl-2-pyridinyl)methylamino]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[[(1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropyl]methoxy]-4-[(5-methyl-2-pyridinyl)methylamino]pyridazin-3-one (CID 118670784) is 2-methyl-6-[[(1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropyl]methoxy]-4-[(5-methyl-2-pyridinyl)methylamino]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[[(1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropyl]methoxy]-4-[(5-methyl-2-pyridinyl)methylamino]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[[(1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropyl]methoxy]-4-[(5-methyl-2-pyridinyl)methylamino]pyridazin-3-one is Cc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccn(C)n3)nn(C)c2=O)nc1.
What is the InChIKey of 2-methyl-6-[[(1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropyl]methoxy]-4-[(5-methyl-2-pyridinyl)methylamino]pyridazin-3-one?
The InChIKey is NEGGMMQHSYMMPJ-ZBFHGGJFSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-13-4-5-15(21-10-13)11-22-18-9-19(24-26(3)20(18)27)28-12-14-8-16(14)17-6-7-25(2)23-17/h4-7,9-10,14,16,22H,8,11-12H2,1-3H3/t14-,16+/m1/s1.
What are the key properties of 2-methyl-6-[[(1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropyl]methoxy]-4-[(5-methyl-2-pyridinyl)methylamino]pyridazin-3-one?
2-methyl-6-[[(1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropyl]methoxy]-4-[(5-methyl-2-pyridinyl)methylamino]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-6-[[(1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropyl]methoxy]-4-[(5-methyl-2-pyridinyl)methylamino]pyridazin-3-one is sourced from PubChem (CID 118670784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).