N-[(Z)-2-cyclopropylethenyl]-6-[[5-[5-(difluoromethyl)-2-pyridinyl]-1-methyl-4H-pyridazin-6-yl]methoxy]-N-methylpyridazin-3-amine

C22H24F2N6O — CID 162723352

IUPACN-[(Z)-2-cyclopropylethenyl]-6-[[5-[5-(difluoromethyl)-2-pyridinyl]-1-methyl-4H-pyridazin-6-yl]methoxy]-N-methylpyridazin-3-amine
SMILESCN1N=CCC(c2ccc(C(F)F)cn2)=C1COc1ccc(N(C)/C=C\C2CC2)nn1
InChIInChI=1S/C22H24F2N6O/c1-29(12-10-15-3-4-15)20-7-8-21(28-27-20)31-14-19-17(9-11-26-30(19)2)18-6-5-16(13-25-18)22(23)24/h5-8,10-13,15,22H,3-4,9,14H2,1-2H3/b12-10-
InChIKeyCQKAITDAZOTXPK-BENRWUELSA-N
MW426.47 g/mol
LogP4.28
Rot. Bonds8

About N-[(Z)-2-cyclopropylethenyl]-6-[[5-[5-(difluoromethyl)-2-pyridinyl]-1-methyl-4H-pyridazin-6-yl]methoxy]-N-methylpyridazin-3-amine

N-[(Z)-2-cyclopropylethenyl]-6-[[5-[5-(difluoromethyl)-2-pyridinyl]-1-methyl-4H-pyridazin-6-yl]methoxy]-N-methylpyridazin-3-amine (PubChem CID 162723352) has the molecular formula C22H24F2N6O and a molecular weight of 426.47 g/mol. Its IUPAC name is N-[(Z)-2-cyclopropylethenyl]-6-[[5-[5-(difluoromethyl)-2-pyridinyl]-1-methyl-4H-pyridazin-6-yl]methoxy]-N-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-[(Z)-2-cyclopropylethenyl]-6-[[5-[5-(difluoromethyl)-2-pyridinyl]-1-methyl-4H-pyridazin-6-yl]methoxy]-N-methylpyridazin-3-amine
PubChem CID162723352
Molecular FormulaC22H24F2N6O
Molecular Weight426.47 g/mol
Exact Mass426.20
IUPAC NameN-[(Z)-2-cyclopropylethenyl]-6-[[5-[5-(difluoromethyl)-2-pyridinyl]-1-methyl-4H-pyridazin-6-yl]methoxy]-N-methylpyridazin-3-amine
SMILESCN1N=CCC(c2ccc(C(F)F)cn2)=C1COc1ccc(N(C)/C=C\C2CC2)nn1
InChIInChI=1S/C22H24F2N6O/c1-29(12-10-15-3-4-15)20-7-8-21(28-27-20)31-14-19-17(9-11-26-30(19)2)18-6-5-16(13-25-18)22(23)24/h5-8,10-13,15,22H,3-4,9,14H2,1-2H3/b12-10-
InChIKeyCQKAITDAZOTXPK-BENRWUELSA-N
XLogP4.28
TPSA66.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(Z)-2-cyclopropylethenyl]-6-[[5-[5-(difluoromethyl)-2-pyridinyl]-1-methyl-4H-pyridazin-6-yl]methoxy]-N-methylpyridazin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

2-[6-[(4-Fluorophenyl)methyl-methylamino]pyridazin-3-yl]oxy-1-(2-pyridin-3-ylpiperidin-1-yl)ethanone
CID 45189282
N-[(5-ethyl-2-pyridinyl)methyl]-2-({6-[(4-fluorobenzyl)(methyl)amino]-3-pyridazinyl}oxy)acetamide
CID 26352059
N-(4-fluorobenzyl)-N-methyl-6-{2-oxo-2-[2-(2-pyridinyl)-1-piperidinyl]ethoxy}-3-pyridazinamine
CID 45175052
2-({6-[(4-fluorobenzyl)(methyl)amino]-3-pyridazinyl}oxy)-N-[1-methyl-2-(2-pyridinyl)ethyl]acetamide
CID 45213917
(2S)-N-methyl-2-(6-methylpyridazin-3-yl)oxy-N-(pyridin-3-ylmethyl)hex-5-en-1-amine
CID 95212852
N,N-dimethyl-6-[(2S)-1-[methyl(pyridin-3-ylmethyl)amino]hex-5-en-2-yl]oxypyridazin-3-amine
CID 95860926
2-[[6-(2-Ethoxypyridin-3-yl)pyridazin-3-yl](methyl)amino]ethanol
CID 121499558
5-(6-Ethoxypyridazin-3-YL)-N,N-dimethylpyridin-2-amine
CID 121503763
5-(Trifluoromethyl)-3-[[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]methoxy]pyridazine
CID 58273430
3-Phenylmethoxy-6-[2-[5-(trifluoromethyl)-3-pyridinyl]ethyl]pyridazine
CID 118450934
3-[(3R,4S)-3-fluoro-4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-4,6-dimethylpyridazine
CID 135154335
4-[(3Z,5Z)-4-methoxyocta-3,5-dien-3-yl]-3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridazine
CID 135246954

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-cyclopropylethenyl]-6-[[5-[5-(difluoromethyl)-2-pyridinyl]-1-methyl-4H-pyridazin-6-yl]methoxy]-N-methylpyridazin-3-amine?
The IUPAC name of N-[(Z)-2-cyclopropylethenyl]-6-[[5-[5-(difluoromethyl)-2-pyridinyl]-1-methyl-4H-pyridazin-6-yl]methoxy]-N-methylpyridazin-3-amine (CID 162723352) is N-[(Z)-2-cyclopropylethenyl]-6-[[5-[5-(difluoromethyl)-2-pyridinyl]-1-methyl-4H-pyridazin-6-yl]methoxy]-N-methylpyridazin-3-amine.
What is the SMILES notation for N-[(Z)-2-cyclopropylethenyl]-6-[[5-[5-(difluoromethyl)-2-pyridinyl]-1-methyl-4H-pyridazin-6-yl]methoxy]-N-methylpyridazin-3-amine?
The canonical SMILES for N-[(Z)-2-cyclopropylethenyl]-6-[[5-[5-(difluoromethyl)-2-pyridinyl]-1-methyl-4H-pyridazin-6-yl]methoxy]-N-methylpyridazin-3-amine is CN1N=CCC(c2ccc(C(F)F)cn2)=C1COc1ccc(N(C)/C=C\C2CC2)nn1.
What is the InChIKey of N-[(Z)-2-cyclopropylethenyl]-6-[[5-[5-(difluoromethyl)-2-pyridinyl]-1-methyl-4H-pyridazin-6-yl]methoxy]-N-methylpyridazin-3-amine?
The InChIKey is CQKAITDAZOTXPK-BENRWUELSA-N. The full InChI is InChI=1S/C22H24F2N6O/c1-29(12-10-15-3-4-15)20-7-8-21(28-27-20)31-14-19-17(9-11-26-30(19)2)18-6-5-16(13-25-18)22(23)24/h5-8,10-13,15,22H,3-4,9,14H2,1-2H3/b12-10-.
What are the key properties of N-[(Z)-2-cyclopropylethenyl]-6-[[5-[5-(difluoromethyl)-2-pyridinyl]-1-methyl-4H-pyridazin-6-yl]methoxy]-N-methylpyridazin-3-amine?
N-[(Z)-2-cyclopropylethenyl]-6-[[5-[5-(difluoromethyl)-2-pyridinyl]-1-methyl-4H-pyridazin-6-yl]methoxy]-N-methylpyridazin-3-amine has a molecular weight of 426.47 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-cyclopropylethenyl]-6-[[5-[5-(difluoromethyl)-2-pyridinyl]-1-methyl-4H-pyridazin-6-yl]methoxy]-N-methylpyridazin-3-amine is sourced from PubChem (CID 162723352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).