5-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-1H-indazole

C19H16ClF2N5O — CID 58243639

IUPAC5-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-1H-indazole
SMILESCn1c(-c2ccc3[nH]ncc3c2)nnc1C(C)(C)Oc1c(F)cc(Cl)cc1F
InChIInChI=1S/C19H16ClF2N5O/c1-19(2,28-16-13(21)7-12(20)8-14(16)22)18-26-25-17(27(18)3)10-4-5-15-11(6-10)9-23-24-15/h4-9H,1-3H3,(H,23,24)
InChIKeyYFSDZHLXVSOHHJ-UHFFFAOYSA-N
MW403.82 g/mol
LogP4.60
Rot. Bonds4

About 5-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-1H-indazole

5-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-1H-indazole (PubChem CID 58243639) has the molecular formula C19H16ClF2N5O and a molecular weight of 403.82 g/mol. Its IUPAC name is 5-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-1H-indazole.

Molecular Properties

Compound Name5-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-1H-indazole
PubChem CID58243639
Molecular FormulaC19H16ClF2N5O
Molecular Weight403.82 g/mol
Exact Mass403.10
IUPAC Name5-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-1H-indazole
SMILESCn1c(-c2ccc3[nH]ncc3c2)nnc1C(C)(C)Oc1c(F)cc(Cl)cc1F
InChIInChI=1S/C19H16ClF2N5O/c1-19(2,28-16-13(21)7-12(20)8-14(16)22)18-26-25-17(27(18)3)10-4-5-15-11(6-10)9-23-24-15/h4-9H,1-3H3,(H,23,24)
InChIKeyYFSDZHLXVSOHHJ-UHFFFAOYSA-N
XLogP4.60
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.82
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

{2-[4-(5-(1H-1,2,4-Triazol-5-YL)(1H-indazol-3-YL))phenoxy]ethyl}dimethylamine
CID 10315725
N,N-dimethyl-2-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenoxy]ethanamine
CID 22479784
5-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole
CID 58243467
3-(2-Chloro-4-pyrazol-1-ylphenyl)-4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazole
CID 58243543
5-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-ethyl-1,2,4-triazol-3-yl]-3-methyl-2H-indazole
CID 58243575
5-[4-ethyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole
CID 58243577
5-[5-[2-(4-Chloro-2,6-difluorophenoxy)propan-2-yl]-4-ethyl-1,2,4-triazol-3-yl]-1-[(4-methoxyphenyl)methyl]indazole
CID 58243581
5-[5-[2-(4-Chloro-2,6-difluorophenoxy)propan-2-yl]-4-ethyl-1,2,4-triazol-3-yl]-2-[(4-methoxyphenyl)methyl]indazole
CID 58243654
5-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-ethyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole
CID 58243669
5-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-ethyl-1,2,4-triazol-3-yl]-3-methyl-4,5,6,7-tetrahydro-2H-indazole
CID 58243779
3-chloro-5-[4-ethyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-2H-indazole
CID 58243800
5-[4-ethyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-3-methyl-2H-indazole
CID 58243886

Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-1H-indazole?
The IUPAC name of 5-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-1H-indazole (CID 58243639) is 5-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-1H-indazole.
What is the SMILES notation for 5-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-1H-indazole?
The canonical SMILES for 5-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-1H-indazole is Cn1c(-c2ccc3[nH]ncc3c2)nnc1C(C)(C)Oc1c(F)cc(Cl)cc1F.
What is the InChIKey of 5-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-1H-indazole?
The InChIKey is YFSDZHLXVSOHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2N5O/c1-19(2,28-16-13(21)7-12(20)8-14(16)22)18-26-25-17(27(18)3)10-4-5-15-11(6-10)9-23-24-15/h4-9H,1-3H3,(H,23,24).
What are the key properties of 5-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-1H-indazole?
5-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-1H-indazole has a molecular weight of 403.82 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-1H-indazole is sourced from PubChem (CID 58243639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).