1-[5-(3-fluoro-5-methylphenyl)-3-(5-methoxy-1H-indol-2-yl)pyridazin-4-yl]piperidin-4-amine

C25H26FN5O — CID 135329440

IUPAC1-[5-(3-fluoro-5-methylphenyl)-3-(5-methoxy-1H-indol-2-yl)pyridazin-4-yl]piperidin-4-amine
SMILESCOc1ccc2[nH]c(-c3nncc(-c4cc(C)cc(F)c4)c3N3CCC(N)CC3)cc2c1
InChIInChI=1S/C25H26FN5O/c1-15-9-16(11-18(26)10-15)21-14-28-30-24(25(21)31-7-5-19(27)6-8-31)23-13-17-12-20(32-2)3-4-22(17)29-23/h3-4,9-14,19,29H,5-8,27H2,1-2H3
InChIKeyAUPCBUYYKUYLJK-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.68
Rot. Bonds4

About 1-[5-(3-fluoro-5-methylphenyl)-3-(5-methoxy-1H-indol-2-yl)pyridazin-4-yl]piperidin-4-amine

1-[5-(3-fluoro-5-methylphenyl)-3-(5-methoxy-1H-indol-2-yl)pyridazin-4-yl]piperidin-4-amine (PubChem CID 135329440) has the molecular formula C25H26FN5O and a molecular weight of 431.52 g/mol. Its IUPAC name is 1-[5-(3-fluoro-5-methylphenyl)-3-(5-methoxy-1H-indol-2-yl)pyridazin-4-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[5-(3-fluoro-5-methylphenyl)-3-(5-methoxy-1H-indol-2-yl)pyridazin-4-yl]piperidin-4-amine
PubChem CID135329440
Molecular FormulaC25H26FN5O
Molecular Weight431.52 g/mol
Exact Mass431.21
IUPAC Name1-[5-(3-fluoro-5-methylphenyl)-3-(5-methoxy-1H-indol-2-yl)pyridazin-4-yl]piperidin-4-amine
SMILESCOc1ccc2[nH]c(-c3nncc(-c4cc(C)cc(F)c4)c3N3CCC(N)CC3)cc2c1
InChIInChI=1S/C25H26FN5O/c1-15-9-16(11-18(26)10-15)21-14-28-30-24(25(21)31-7-5-19(27)6-8-31)23-13-17-12-20(32-2)3-4-22(17)29-23/h3-4,9-14,19,29H,5-8,27H2,1-2H3
InChIKeyAUPCBUYYKUYLJK-UHFFFAOYSA-N
XLogP4.68
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-Methoxy-1-methyl-9H-pyrido(3,4-b)indole
CID 5376026
5-Methoxy-3-{4-[4-(4-methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole
CID 9800737
5-{5-[(2S)-2-amino-3-[3-(piperidin-4-ylmethoxy)phenyl]propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731663
5-{5-[(2S)-2-amino-3-{3-[(1-methylpiperidin-4-yl)methoxy]phenyl}propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16731664
4-(2-{3-[(2S)-2-amino-3-{[5-(3-methyl-1H-indazol-5-yl)pyridin-3-yl]oxy}propyl]phenoxy}ethyl)morpholine
CID 16731671
5-{5-[(2S)-2-amino-3-{3-[2-(piperidin-4-yl)ethoxy]phenyl}propoxy]pyridin-3-yl}-3-methyl-1H-indazole
CID 16732420
6-methoxy-1,2-dimethyl-9H-beta-carbolin-2-ium
CID 44419695
1-Cyclohexyl-N-({6-Fluoro-1-[2-(3-Methoxyphenyl)pyridin-4-Yl]-1h-Indol-3-Yl}methyl)methanamine
CID 129318960
6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridine
CID 155817682
8-[4-[4-(5-methoxy-1H-indol-3-yl)butyl]piperazin-1-yl]-1,2,3,4-tetrahydroacridin-9-amine
CID 145962768
6-(3-fluoro-2-methyl-4-pyridinyl)-5-methoxy-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine
CID 166635576
2-(5-methoxy-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 23724301

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluoro-5-methylphenyl)-3-(5-methoxy-1H-indol-2-yl)pyridazin-4-yl]piperidin-4-amine?
The IUPAC name of 1-[5-(3-fluoro-5-methylphenyl)-3-(5-methoxy-1H-indol-2-yl)pyridazin-4-yl]piperidin-4-amine (CID 135329440) is 1-[5-(3-fluoro-5-methylphenyl)-3-(5-methoxy-1H-indol-2-yl)pyridazin-4-yl]piperidin-4-amine.
What is the SMILES notation for 1-[5-(3-fluoro-5-methylphenyl)-3-(5-methoxy-1H-indol-2-yl)pyridazin-4-yl]piperidin-4-amine?
The canonical SMILES for 1-[5-(3-fluoro-5-methylphenyl)-3-(5-methoxy-1H-indol-2-yl)pyridazin-4-yl]piperidin-4-amine is COc1ccc2[nH]c(-c3nncc(-c4cc(C)cc(F)c4)c3N3CCC(N)CC3)cc2c1.
What is the InChIKey of 1-[5-(3-fluoro-5-methylphenyl)-3-(5-methoxy-1H-indol-2-yl)pyridazin-4-yl]piperidin-4-amine?
The InChIKey is AUPCBUYYKUYLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O/c1-15-9-16(11-18(26)10-15)21-14-28-30-24(25(21)31-7-5-19(27)6-8-31)23-13-17-12-20(32-2)3-4-22(17)29-23/h3-4,9-14,19,29H,5-8,27H2,1-2H3.
What are the key properties of 1-[5-(3-fluoro-5-methylphenyl)-3-(5-methoxy-1H-indol-2-yl)pyridazin-4-yl]piperidin-4-amine?
1-[5-(3-fluoro-5-methylphenyl)-3-(5-methoxy-1H-indol-2-yl)pyridazin-4-yl]piperidin-4-amine has a molecular weight of 431.52 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluoro-5-methylphenyl)-3-(5-methoxy-1H-indol-2-yl)pyridazin-4-yl]piperidin-4-amine is sourced from PubChem (CID 135329440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).