N-[(2,4-dimethoxyphenyl)methyl]-6-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]pyridazin-3-amine

C24H21FN6O2 — CID 118060715

IUPACN-[(2,4-dimethoxyphenyl)methyl]-6-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]pyridazin-3-amine
SMILESCOc1ccc(CNc2ccc(-n3cc(-c4c[nH]c5cc(F)ccc45)cn3)nn2)c(OC)c1
InChIInChI=1S/C24H21FN6O2/c1-32-18-5-3-15(22(10-18)33-2)11-27-23-7-8-24(30-29-23)31-14-16(12-28-31)20-13-26-21-9-17(25)4-6-19(20)21/h3-10,12-14,26H,11H2,1-2H3,(H,27,29)
InChIKeyFCDZFCRSQUVLCL-UHFFFAOYSA-N
MW444.47 g/mol
LogP4.58
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)methyl]-6-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]pyridazin-3-amine

N-[(2,4-dimethoxyphenyl)methyl]-6-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]pyridazin-3-amine (PubChem CID 118060715) has the molecular formula C24H21FN6O2 and a molecular weight of 444.47 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-6-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]pyridazin-3-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-6-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]pyridazin-3-amine
PubChem CID118060715
Molecular FormulaC24H21FN6O2
Molecular Weight444.47 g/mol
Exact Mass444.17
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-6-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]pyridazin-3-amine
SMILESCOc1ccc(CNc2ccc(-n3cc(-c4c[nH]c5cc(F)ccc45)cn3)nn2)c(OC)c1
InChIInChI=1S/C24H21FN6O2/c1-32-18-5-3-15(22(10-18)33-2)11-27-23-7-8-24(30-29-23)31-14-16(12-28-31)20-13-26-21-9-17(25)4-6-19(20)21/h3-10,12-14,26H,11H2,1-2H3,(H,27,29)
InChIKeyFCDZFCRSQUVLCL-UHFFFAOYSA-N
XLogP4.58
TPSA89.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-6-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]pyridazin-3-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-6-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]pyridazin-3-amine (CID 118060715) is N-[(2,4-dimethoxyphenyl)methyl]-6-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]pyridazin-3-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-6-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]pyridazin-3-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-6-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]pyridazin-3-amine is COc1ccc(CNc2ccc(-n3cc(-c4c[nH]c5cc(F)ccc45)cn3)nn2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-6-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]pyridazin-3-amine?
The InChIKey is FCDZFCRSQUVLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O2/c1-32-18-5-3-15(22(10-18)33-2)11-27-23-7-8-24(30-29-23)31-14-16(12-28-31)20-13-26-21-9-17(25)4-6-19(20)21/h3-10,12-14,26H,11H2,1-2H3,(H,27,29).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-6-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]pyridazin-3-amine?
N-[(2,4-dimethoxyphenyl)methyl]-6-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]pyridazin-3-amine has a molecular weight of 444.47 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-6-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]pyridazin-3-amine is sourced from PubChem (CID 118060715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).