3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxy-5-methylbenzonitrile

C22H20FN5O — CID 136949527

IUPAC3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxy-5-methylbenzonitrile
SMILESCc1cc(C#N)c(O)c(-c2ccc(NCC3(c4ccccn4)CC(F)C3)nn2)c1
InChIInChI=1S/C22H20FN5O/c1-14-8-15(12-24)21(29)17(9-14)18-5-6-20(28-27-18)26-13-22(10-16(23)11-22)19-4-2-3-7-25-19/h2-9,16,29H,10-11,13H2,1H3,(H,26,28)
InChIKeyKFOLVWCEVVRSOA-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.91
Rot. Bonds5

About 3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxy-5-methylbenzonitrile

3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxy-5-methylbenzonitrile (PubChem CID 136949527) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is 3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxy-5-methylbenzonitrile.

Molecular Properties

Compound Name3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxy-5-methylbenzonitrile
PubChem CID136949527
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC Name3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxy-5-methylbenzonitrile
SMILESCc1cc(C#N)c(O)c(-c2ccc(NCC3(c4ccccn4)CC(F)C3)nn2)c1
InChIInChI=1S/C22H20FN5O/c1-14-8-15(12-24)21(29)17(9-14)18-5-6-20(28-27-18)26-13-22(10-16(23)11-22)19-4-2-3-7-25-19/h2-9,16,29H,10-11,13H2,1H3,(H,26,28)
InChIKeyKFOLVWCEVVRSOA-UHFFFAOYSA-N
XLogP3.91
TPSA94.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxy-5-methylbenzonitrile with MolForge

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Related Compounds

4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxybenzamide
CID 136949525
4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 121281912
5-bromo-3-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-2-hydroxybenzonitrile
CID 136627800
trans-(1S,2S)-2-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide
CID 118498156
4-fluoro-3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzoic acid
CID 67453651
6-(5-bromo-2-fluoro-4-methoxyphenyl)-N-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine
CID 121285998
2-fluoro-5-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide
CID 121281954
1-[4-[6-[[3-fluoro-1-(3-methyl-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]-3-methylurea
CID 126549906
3-chloro-5-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide
CID 67451168
bis(N-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-(3-isocyanophenyl)pyridazin-3-amine);methane
CID 158601643
N-[4-fluoro-3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]-N-[(3R)-pyrrolidin-3-yl]formamide
CID 141481024
N-(1-acetylazetidin-3-yl)-N-[3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]formamide
CID 141481010

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxy-5-methylbenzonitrile?
The IUPAC name of 3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxy-5-methylbenzonitrile (CID 136949527) is 3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxy-5-methylbenzonitrile.
What is the SMILES notation for 3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxy-5-methylbenzonitrile?
The canonical SMILES for 3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxy-5-methylbenzonitrile is Cc1cc(C#N)c(O)c(-c2ccc(NCC3(c4ccccn4)CC(F)C3)nn2)c1.
What is the InChIKey of 3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxy-5-methylbenzonitrile?
The InChIKey is KFOLVWCEVVRSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c1-14-8-15(12-24)21(29)17(9-14)18-5-6-20(28-27-18)26-13-22(10-16(23)11-22)19-4-2-3-7-25-19/h2-9,16,29H,10-11,13H2,1H3,(H,26,28).
What are the key properties of 3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxy-5-methylbenzonitrile?
3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxy-5-methylbenzonitrile has a molecular weight of 389.43 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxy-5-methylbenzonitrile is sourced from PubChem (CID 136949527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).