N-[[1-(3-fluoro-6-propyl-2-pyridinyl)cyclobutyl]methyl]-6-(2-methoxy-3-pyridinyl)pyridazin-3-amine

C23H26FN5O — CID 123970684

IUPACN-[[1-(3-fluoro-6-propyl-2-pyridinyl)cyclobutyl]methyl]-6-(2-methoxy-3-pyridinyl)pyridazin-3-amine
SMILESCCCc1ccc(F)c(C2(CNc3ccc(-c4cccnc4OC)nn3)CCC2)n1
InChIInChI=1S/C23H26FN5O/c1-3-6-16-8-9-18(24)21(27-16)23(12-5-13-23)15-26-20-11-10-19(28-29-20)17-7-4-14-25-22(17)30-2/h4,7-11,14H,3,5-6,12-13,15H2,1-2H3,(H,26,29)
InChIKeyKGVWZWWIXQTUED-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.57
Rot. Bonds8

About N-[[1-(3-fluoro-6-propyl-2-pyridinyl)cyclobutyl]methyl]-6-(2-methoxy-3-pyridinyl)pyridazin-3-amine

N-[[1-(3-fluoro-6-propyl-2-pyridinyl)cyclobutyl]methyl]-6-(2-methoxy-3-pyridinyl)pyridazin-3-amine (PubChem CID 123970684) has the molecular formula C23H26FN5O and a molecular weight of 407.49 g/mol. Its IUPAC name is N-[[1-(3-fluoro-6-propyl-2-pyridinyl)cyclobutyl]methyl]-6-(2-methoxy-3-pyridinyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[[1-(3-fluoro-6-propyl-2-pyridinyl)cyclobutyl]methyl]-6-(2-methoxy-3-pyridinyl)pyridazin-3-amine
PubChem CID123970684
Molecular FormulaC23H26FN5O
Molecular Weight407.49 g/mol
Exact Mass407.21
IUPAC NameN-[[1-(3-fluoro-6-propyl-2-pyridinyl)cyclobutyl]methyl]-6-(2-methoxy-3-pyridinyl)pyridazin-3-amine
SMILESCCCc1ccc(F)c(C2(CNc3ccc(-c4cccnc4OC)nn3)CCC2)n1
InChIInChI=1S/C23H26FN5O/c1-3-6-16-8-9-18(24)21(27-16)23(12-5-13-23)15-26-20-11-10-19(28-29-20)17-7-4-14-25-22(17)30-2/h4,7-11,14H,3,5-6,12-13,15H2,1-2H3,(H,26,29)
InChIKeyKGVWZWWIXQTUED-UHFFFAOYSA-N
XLogP4.57
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-(3-fluoro-6-propyl-2-pyridinyl)cyclobutyl]methyl]-6-(2-methoxy-3-pyridinyl)pyridazin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

6-(2-chloro-3-pyridinyl)-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine;N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-(2-methoxy-3-pyridinyl)pyridazin-3-amine
CID 159158984
methyl 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1-methylimidazole-4-carboxylate
CID 67453912
[2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-oxazol-4-yl] methyl carbonate
CID 121281412
2-fluoro-5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-N-propylbenzamide;2-fluoro-5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-N-propylbenzenecarbothioamide
CID 157428665
amino-[5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,2-oxazol-3-yl]methanol
CID 131981877
5-bromo-3-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-2-hydroxybenzonitrile
CID 136627800
6-(5-bromo-2-fluoro-4-methoxyphenyl)-N-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine
CID 121285998
amino-[3-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1H-pyrazol-5-yl]methanol
CID 123726192
N-[[2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-thiazol-5-yl]methyl]formamide
CID 121286033
2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]propan-2-ol;methyl 6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazine-3-carboxylate
CID 161332730
N'-[5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1H-indazol-3-yl]ethane-1,2-diamine;5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-N-propyl-1H-indazol-3-amine
CID 159121074
N-[[2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-thiazol-5-yl]methyl]-2-methylpropane-2-sulfinamide
CID 67452874

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluoro-6-propyl-2-pyridinyl)cyclobutyl]methyl]-6-(2-methoxy-3-pyridinyl)pyridazin-3-amine?
The IUPAC name of N-[[1-(3-fluoro-6-propyl-2-pyridinyl)cyclobutyl]methyl]-6-(2-methoxy-3-pyridinyl)pyridazin-3-amine (CID 123970684) is N-[[1-(3-fluoro-6-propyl-2-pyridinyl)cyclobutyl]methyl]-6-(2-methoxy-3-pyridinyl)pyridazin-3-amine.
What is the SMILES notation for N-[[1-(3-fluoro-6-propyl-2-pyridinyl)cyclobutyl]methyl]-6-(2-methoxy-3-pyridinyl)pyridazin-3-amine?
The canonical SMILES for N-[[1-(3-fluoro-6-propyl-2-pyridinyl)cyclobutyl]methyl]-6-(2-methoxy-3-pyridinyl)pyridazin-3-amine is CCCc1ccc(F)c(C2(CNc3ccc(-c4cccnc4OC)nn3)CCC2)n1.
What is the InChIKey of N-[[1-(3-fluoro-6-propyl-2-pyridinyl)cyclobutyl]methyl]-6-(2-methoxy-3-pyridinyl)pyridazin-3-amine?
The InChIKey is KGVWZWWIXQTUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O/c1-3-6-16-8-9-18(24)21(27-16)23(12-5-13-23)15-26-20-11-10-19(28-29-20)17-7-4-14-25-22(17)30-2/h4,7-11,14H,3,5-6,12-13,15H2,1-2H3,(H,26,29).
What are the key properties of N-[[1-(3-fluoro-6-propyl-2-pyridinyl)cyclobutyl]methyl]-6-(2-methoxy-3-pyridinyl)pyridazin-3-amine?
N-[[1-(3-fluoro-6-propyl-2-pyridinyl)cyclobutyl]methyl]-6-(2-methoxy-3-pyridinyl)pyridazin-3-amine has a molecular weight of 407.49 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluoro-6-propyl-2-pyridinyl)cyclobutyl]methyl]-6-(2-methoxy-3-pyridinyl)pyridazin-3-amine is sourced from PubChem (CID 123970684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).