N-(2,4-difluorophenyl)-5,6-bis(4-methoxyphenyl)-N-propylpyridazin-3-amine

C27H25F2N3O2 — CID 18759995

IUPACN-(2,4-difluorophenyl)-5,6-bis(4-methoxyphenyl)-N-propylpyridazin-3-amine
SMILESCCCN(c1cc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)nn1)c1ccc(F)cc1F
InChIInChI=1S/C27H25F2N3O2/c1-4-15-32(25-14-9-20(28)16-24(25)29)26-17-23(18-5-10-21(33-2)11-6-18)27(31-30-26)19-7-12-22(34-3)13-8-19/h5-14,16-17H,4,15H2,1-3H3
InChIKeyWIIXTMBPNGPCMS-UHFFFAOYSA-N
MW461.51 g/mol
LogP6.65
Rot. Bonds8

About N-(2,4-difluorophenyl)-5,6-bis(4-methoxyphenyl)-N-propylpyridazin-3-amine

N-(2,4-difluorophenyl)-5,6-bis(4-methoxyphenyl)-N-propylpyridazin-3-amine (PubChem CID 18759995) has the molecular formula C27H25F2N3O2 and a molecular weight of 461.51 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5,6-bis(4-methoxyphenyl)-N-propylpyridazin-3-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5,6-bis(4-methoxyphenyl)-N-propylpyridazin-3-amine
PubChem CID18759995
Molecular FormulaC27H25F2N3O2
Molecular Weight461.51 g/mol
Exact Mass461.19
IUPAC NameN-(2,4-difluorophenyl)-5,6-bis(4-methoxyphenyl)-N-propylpyridazin-3-amine
SMILESCCCN(c1cc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)nn1)c1ccc(F)cc1F
InChIInChI=1S/C27H25F2N3O2/c1-4-15-32(25-14-9-20(28)16-24(25)29)26-17-23(18-5-10-21(33-2)11-6-18)27(31-30-26)19-7-12-22(34-3)13-8-19/h5-14,16-17H,4,15H2,1-3H3
InChIKeyWIIXTMBPNGPCMS-UHFFFAOYSA-N
XLogP6.65
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.51
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5,6-bis(4-methoxyphenyl)-N-propylpyridazin-3-amine?
The IUPAC name of N-(2,4-difluorophenyl)-5,6-bis(4-methoxyphenyl)-N-propylpyridazin-3-amine (CID 18759995) is N-(2,4-difluorophenyl)-5,6-bis(4-methoxyphenyl)-N-propylpyridazin-3-amine.
What is the SMILES notation for N-(2,4-difluorophenyl)-5,6-bis(4-methoxyphenyl)-N-propylpyridazin-3-amine?
The canonical SMILES for N-(2,4-difluorophenyl)-5,6-bis(4-methoxyphenyl)-N-propylpyridazin-3-amine is CCCN(c1cc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)nn1)c1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-5,6-bis(4-methoxyphenyl)-N-propylpyridazin-3-amine?
The InChIKey is WIIXTMBPNGPCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N3O2/c1-4-15-32(25-14-9-20(28)16-24(25)29)26-17-23(18-5-10-21(33-2)11-6-18)27(31-30-26)19-7-12-22(34-3)13-8-19/h5-14,16-17H,4,15H2,1-3H3.
What are the key properties of N-(2,4-difluorophenyl)-5,6-bis(4-methoxyphenyl)-N-propylpyridazin-3-amine?
N-(2,4-difluorophenyl)-5,6-bis(4-methoxyphenyl)-N-propylpyridazin-3-amine has a molecular weight of 461.51 g/mol, XLogP of 6.65, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5,6-bis(4-methoxyphenyl)-N-propylpyridazin-3-amine is sourced from PubChem (CID 18759995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).