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

C25H21F2N5O — CID 67282977

IUPAC2-(2,4-difluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methylindazol-7-amine
SMILESCOc1cc(Nc2cccc3c(C)n(-c4ccc(F)cc4F)nc23)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H21F2N5O/c1-15-13-31(14-28-15)23-10-8-18(12-24(23)33-3)29-21-6-4-5-19-16(2)32(30-25(19)21)22-9-7-17(26)11-20(22)27/h4-14,29H,1-3H3
InChIKeyYPACEIHNUIXWIN-UHFFFAOYSA-N
MW445.47 g/mol
LogP5.86
Rot. Bonds5

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

2-(2,4-difluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methylindazol-7-amine (PubChem CID 67282977) has the molecular formula C25H21F2N5O and a molecular weight of 445.47 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methylindazol-7-amine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methylindazol-7-amine
PubChem CID67282977
Molecular FormulaC25H21F2N5O
Molecular Weight445.47 g/mol
Exact Mass445.17
IUPAC Name2-(2,4-difluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methylindazol-7-amine
SMILESCOc1cc(Nc2cccc3c(C)n(-c4ccc(F)cc4F)nc23)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H21F2N5O/c1-15-13-31(14-28-15)23-10-8-18(12-24(23)33-3)29-21-6-4-5-19-16(2)32(30-25(19)21)22-9-7-17(26)11-20(22)27/h4-14,29H,1-3H3
InChIKeyYPACEIHNUIXWIN-UHFFFAOYSA-N
XLogP5.86
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.47
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methylindazol-7-amine?
The IUPAC name of 2-(2,4-difluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methylindazol-7-amine (CID 67282977) is 2-(2,4-difluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methylindazol-7-amine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methylindazol-7-amine?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methylindazol-7-amine is COc1cc(Nc2cccc3c(C)n(-c4ccc(F)cc4F)nc23)ccc1-n1cnc(C)c1.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methylindazol-7-amine?
The InChIKey is YPACEIHNUIXWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N5O/c1-15-13-31(14-28-15)23-10-8-18(12-24(23)33-3)29-21-6-4-5-19-16(2)32(30-25(19)21)22-9-7-17(26)11-20(22)27/h4-14,29H,1-3H3.
What are the key properties of 2-(2,4-difluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methylindazol-7-amine?
2-(2,4-difluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methylindazol-7-amine has a molecular weight of 445.47 g/mol, XLogP of 5.86, 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-(4-methylimidazol-1-yl)phenyl]-3-methylindazol-7-amine is sourced from PubChem (CID 67282977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).