3-(4-chloro-2-pyridinyl)-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylindazole

C22H18ClF2N3O — CID 118875147

IUPAC3-(4-chloro-2-pyridinyl)-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylindazole
SMILESCCOc1cc(F)c(Cn2nc(-c3cc(Cl)ccn3)c3c(C)cccc32)c(F)c1
InChIInChI=1S/C22H18ClF2N3O/c1-3-29-15-10-17(24)16(18(25)11-15)12-28-20-6-4-5-13(2)21(20)22(27-28)19-9-14(23)7-8-26-19/h4-11H,3,12H2,1-2H3
InChIKeyLVUINUSDWWKMBC-UHFFFAOYSA-N
MW413.86 g/mol
LogP5.79
Rot. Bonds5

About 3-(4-chloro-2-pyridinyl)-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylindazole

3-(4-chloro-2-pyridinyl)-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylindazole (PubChem CID 118875147) has the molecular formula C22H18ClF2N3O and a molecular weight of 413.86 g/mol. Its IUPAC name is 3-(4-chloro-2-pyridinyl)-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylindazole.

Molecular Properties

Compound Name3-(4-chloro-2-pyridinyl)-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylindazole
PubChem CID118875147
Molecular FormulaC22H18ClF2N3O
Molecular Weight413.86 g/mol
Exact Mass413.11
IUPAC Name3-(4-chloro-2-pyridinyl)-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylindazole
SMILESCCOc1cc(F)c(Cn2nc(-c3cc(Cl)ccn3)c3c(C)cccc32)c(F)c1
InChIInChI=1S/C22H18ClF2N3O/c1-3-29-15-10-17(24)16(18(25)11-15)12-28-20-6-4-5-13(2)21(20)22(27-28)19-9-14(23)7-8-26-19/h4-11H,3,12H2,1-2H3
InChIKeyLVUINUSDWWKMBC-UHFFFAOYSA-N
XLogP5.79
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.86
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-chloro-2-pyridinyl)-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylindazole 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 3-(4-chloro-2-pyridinyl)-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylindazole?
The IUPAC name of 3-(4-chloro-2-pyridinyl)-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylindazole (CID 118875147) is 3-(4-chloro-2-pyridinyl)-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylindazole.
What is the SMILES notation for 3-(4-chloro-2-pyridinyl)-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylindazole?
The canonical SMILES for 3-(4-chloro-2-pyridinyl)-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylindazole is CCOc1cc(F)c(Cn2nc(-c3cc(Cl)ccn3)c3c(C)cccc32)c(F)c1.
What is the InChIKey of 3-(4-chloro-2-pyridinyl)-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylindazole?
The InChIKey is LVUINUSDWWKMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF2N3O/c1-3-29-15-10-17(24)16(18(25)11-15)12-28-20-6-4-5-13(2)21(20)22(27-28)19-9-14(23)7-8-26-19/h4-11H,3,12H2,1-2H3.
What are the key properties of 3-(4-chloro-2-pyridinyl)-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylindazole?
3-(4-chloro-2-pyridinyl)-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylindazole has a molecular weight of 413.86 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-pyridinyl)-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylindazole is sourced from PubChem (CID 118875147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).