2-(2,4-difluorophenyl)-N-[3-methoxy-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-3-methylindazol-7-amine

C25H20F2N4OS — CID 67283744

IUPAC2-(2,4-difluorophenyl)-N-[3-methoxy-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-3-methylindazol-7-amine
SMILESCOc1cc(Nc2cccc3c(C)n(-c4ccc(F)cc4F)nc23)ccc1-c1cnc(C)s1
InChIInChI=1S/C25H20F2N4OS/c1-14-18-5-4-6-21(25(18)30-31(14)22-10-7-16(26)11-20(22)27)29-17-8-9-19(23(12-17)32-3)24-13-28-15(2)33-24/h4-13,29H,1-3H3
InChIKeyLGMJKUFBVYEMAZ-UHFFFAOYSA-N
MW462.53 g/mol
LogP6.80
Rot. Bonds5

About 2-(2,4-difluorophenyl)-N-[3-methoxy-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-3-methylindazol-7-amine

2-(2,4-difluorophenyl)-N-[3-methoxy-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-3-methylindazol-7-amine (PubChem CID 67283744) has the molecular formula C25H20F2N4OS and a molecular weight of 462.53 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-[3-methoxy-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-3-methylindazol-7-amine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-[3-methoxy-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-3-methylindazol-7-amine
PubChem CID67283744
Molecular FormulaC25H20F2N4OS
Molecular Weight462.53 g/mol
Exact Mass462.13
IUPAC Name2-(2,4-difluorophenyl)-N-[3-methoxy-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-3-methylindazol-7-amine
SMILESCOc1cc(Nc2cccc3c(C)n(-c4ccc(F)cc4F)nc23)ccc1-c1cnc(C)s1
InChIInChI=1S/C25H20F2N4OS/c1-14-18-5-4-6-21(25(18)30-31(14)22-10-7-16(26)11-20(22)27)29-17-8-9-19(23(12-17)32-3)24-13-28-15(2)33-24/h4-13,29H,1-3H3
InChIKeyLGMJKUFBVYEMAZ-UHFFFAOYSA-N
XLogP6.80
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.53
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2,4-difluorophenyl)-N-[3-methoxy-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-3-methylindazol-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-[3-methoxy-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-3-methylindazol-7-amine?
The IUPAC name of 2-(2,4-difluorophenyl)-N-[3-methoxy-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-3-methylindazol-7-amine (CID 67283744) is 2-(2,4-difluorophenyl)-N-[3-methoxy-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-3-methylindazol-7-amine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-[3-methoxy-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-3-methylindazol-7-amine?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-[3-methoxy-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-3-methylindazol-7-amine is COc1cc(Nc2cccc3c(C)n(-c4ccc(F)cc4F)nc23)ccc1-c1cnc(C)s1.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-[3-methoxy-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-3-methylindazol-7-amine?
The InChIKey is LGMJKUFBVYEMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N4OS/c1-14-18-5-4-6-21(25(18)30-31(14)22-10-7-16(26)11-20(22)27)29-17-8-9-19(23(12-17)32-3)24-13-28-15(2)33-24/h4-13,29H,1-3H3.
What are the key properties of 2-(2,4-difluorophenyl)-N-[3-methoxy-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-3-methylindazol-7-amine?
2-(2,4-difluorophenyl)-N-[3-methoxy-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-3-methylindazol-7-amine has a molecular weight of 462.53 g/mol, XLogP of 6.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-[3-methoxy-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-3-methylindazol-7-amine is sourced from PubChem (CID 67283744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).