5-chloro-1-[[5-[3-(difluoromethyl)phenyl]pyrazin-2-yl]methyl]indazole

C19H13ClF2N4 — CID 175809908

IUPAC5-chloro-1-[[5-[3-(difluoromethyl)phenyl]pyrazin-2-yl]methyl]indazole
SMILESFC(F)c1cccc(-c2cnc(Cn3ncc4cc(Cl)ccc43)cn2)c1
InChIInChI=1S/C19H13ClF2N4/c20-15-4-5-18-14(7-15)8-25-26(18)11-16-9-24-17(10-23-16)12-2-1-3-13(6-12)19(21)22/h1-10,19H,11H2
InChIKeyDZEUJRQBWSMOHY-UHFFFAOYSA-N
MW370.79 g/mol
LogP5.13
Rot. Bonds4

About 5-chloro-1-[[5-[3-(difluoromethyl)phenyl]pyrazin-2-yl]methyl]indazole

5-chloro-1-[[5-[3-(difluoromethyl)phenyl]pyrazin-2-yl]methyl]indazole (PubChem CID 175809908) has the molecular formula C19H13ClF2N4 and a molecular weight of 370.79 g/mol. Its IUPAC name is 5-chloro-1-[[5-[3-(difluoromethyl)phenyl]pyrazin-2-yl]methyl]indazole.

Molecular Properties

Compound Name5-chloro-1-[[5-[3-(difluoromethyl)phenyl]pyrazin-2-yl]methyl]indazole
PubChem CID175809908
Molecular FormulaC19H13ClF2N4
Molecular Weight370.79 g/mol
Exact Mass370.08
IUPAC Name5-chloro-1-[[5-[3-(difluoromethyl)phenyl]pyrazin-2-yl]methyl]indazole
SMILESFC(F)c1cccc(-c2cnc(Cn3ncc4cc(Cl)ccc43)cn2)c1
InChIInChI=1S/C19H13ClF2N4/c20-15-4-5-18-14(7-15)8-25-26(18)11-16-9-24-17(10-23-16)12-2-1-3-13(6-12)19(21)22/h1-10,19H,11H2
InChIKeyDZEUJRQBWSMOHY-UHFFFAOYSA-N
XLogP5.13
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.79
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-[(4-chlorophenyl)methyl]indazole
CID 59148107
5-chloro-1-[[6-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]methyl]indazole
CID 175809986
5-(difluoromethoxy)-1-[[5-(3-fluoro-5-methoxyphenyl)pyrazin-2-yl]methyl]indazole
CID 175809954
1-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-ylindazole
CID 177179269
5-chloro-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]indazole
CID 175810220
4-chloro-1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-5-amine
CID 113328791
2-[3-(difluoromethyl)phenyl]-6-(1,2-dihydroimidazol-3-ylmethyl)pyridine
CID 172730984
1-[(3-chlorophenyl)methyl]-6-fluoroindazole
CID 141202076
3-(5-chloroindazol-1-yl)-N,N-dimethylpropan-1-amine
CID 141054546
1-benzyl-5-pyridazin-3-ylindazole
CID 173219468
4-chloro-6-cyclopropyl-2-[3-(difluoromethyl)phenyl]pyrimidine
CID 113328920
CID 87937635
CID 87937635

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[[5-[3-(difluoromethyl)phenyl]pyrazin-2-yl]methyl]indazole?
The IUPAC name of 5-chloro-1-[[5-[3-(difluoromethyl)phenyl]pyrazin-2-yl]methyl]indazole (CID 175809908) is 5-chloro-1-[[5-[3-(difluoromethyl)phenyl]pyrazin-2-yl]methyl]indazole.
What is the SMILES notation for 5-chloro-1-[[5-[3-(difluoromethyl)phenyl]pyrazin-2-yl]methyl]indazole?
The canonical SMILES for 5-chloro-1-[[5-[3-(difluoromethyl)phenyl]pyrazin-2-yl]methyl]indazole is FC(F)c1cccc(-c2cnc(Cn3ncc4cc(Cl)ccc43)cn2)c1.
What is the InChIKey of 5-chloro-1-[[5-[3-(difluoromethyl)phenyl]pyrazin-2-yl]methyl]indazole?
The InChIKey is DZEUJRQBWSMOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2N4/c20-15-4-5-18-14(7-15)8-25-26(18)11-16-9-24-17(10-23-16)12-2-1-3-13(6-12)19(21)22/h1-10,19H,11H2.
What are the key properties of 5-chloro-1-[[5-[3-(difluoromethyl)phenyl]pyrazin-2-yl]methyl]indazole?
5-chloro-1-[[5-[3-(difluoromethyl)phenyl]pyrazin-2-yl]methyl]indazole has a molecular weight of 370.79 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[[5-[3-(difluoromethyl)phenyl]pyrazin-2-yl]methyl]indazole is sourced from PubChem (CID 175809908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).