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

C21H25ClN6O2 — CID 90419267

IUPAC4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one
SMILESCc1ccc([C@H]2C[C@@H]2COc2cc(NCc3c(Cl)c(C)nn3C)c(=O)n(C)n2)nc1
InChIInChI=1S/C21H25ClN6O2/c1-12-5-6-16(23-9-12)15-7-14(15)11-30-19-8-17(21(29)28(4)26-19)24-10-18-20(22)13(2)25-27(18)3/h5-6,8-9,14-15,24H,7,10-11H2,1-4H3/t14-,15+/m1/s1
InChIKeyIOIGUBVIFZMNCE-CABCVRRESA-N
MW428.92 g/mol
LogP2.97
Rot. Bonds7

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

4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one (PubChem CID 90419267) has the molecular formula C21H25ClN6O2 and a molecular weight of 428.92 g/mol. Its IUPAC name is 4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one.

Molecular Properties

Compound Name4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one
PubChem CID90419267
Molecular FormulaC21H25ClN6O2
Molecular Weight428.92 g/mol
Exact Mass428.17
IUPAC Name4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one
SMILESCc1ccc([C@H]2C[C@@H]2COc2cc(NCc3c(Cl)c(C)nn3C)c(=O)n(C)n2)nc1
InChIInChI=1S/C21H25ClN6O2/c1-12-5-6-16(23-9-12)15-7-14(15)11-30-19-8-17(21(29)28(4)26-19)24-10-18-20(22)13(2)25-27(18)3/h5-6,8-9,14-15,24H,7,10-11H2,1-4H3/t14-,15+/m1/s1
InChIKeyIOIGUBVIFZMNCE-CABCVRRESA-N
XLogP2.97
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one?
The IUPAC name of 4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one (CID 90419267) is 4-[(4-chloro-1,3-dimethylpyrazol-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-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one?
The canonical SMILES for 4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one is Cc1ccc([C@H]2C[C@@H]2COc2cc(NCc3c(Cl)c(C)nn3C)c(=O)n(C)n2)nc1.
What is the InChIKey of 4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one?
The InChIKey is IOIGUBVIFZMNCE-CABCVRRESA-N. The full InChI is InChI=1S/C21H25ClN6O2/c1-12-5-6-16(23-9-12)15-7-14(15)11-30-19-8-17(21(29)28(4)26-19)24-10-18-20(22)13(2)25-27(18)3/h5-6,8-9,14-15,24H,7,10-11H2,1-4H3/t14-,15+/m1/s1.
What are the key properties of 4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one?
4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one has a molecular weight of 428.92 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one is sourced from PubChem (CID 90419267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).