3-(2,4-difluorophenyl)-2-(2-hydroxyethyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]indazole-6-carboxamide

C21H19F2N5O3 — CID 66661364

IUPAC3-(2,4-difluorophenyl)-2-(2-hydroxyethyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]indazole-6-carboxamide
SMILESCc1noc([C@@H](C)NC(=O)c2ccc3c(-c4ccc(F)cc4F)n(CCO)nc3c2)n1
InChIInChI=1S/C21H19F2N5O3/c1-11(21-25-12(2)27-31-21)24-20(30)13-3-5-16-18(9-13)26-28(7-8-29)19(16)15-6-4-14(22)10-17(15)23/h3-6,9-11,29H,7-8H2,1-2H3,(H,24,30)/t11-/m1/s1
InChIKeyYBKITGYQDZLOEV-LLVKDONJSA-N
MW427.41 g/mol
LogP3.16
Rot. Bonds6

About 3-(2,4-difluorophenyl)-2-(2-hydroxyethyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]indazole-6-carboxamide

3-(2,4-difluorophenyl)-2-(2-hydroxyethyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]indazole-6-carboxamide (PubChem CID 66661364) has the molecular formula C21H19F2N5O3 and a molecular weight of 427.41 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-2-(2-hydroxyethyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]indazole-6-carboxamide.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-2-(2-hydroxyethyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]indazole-6-carboxamide
PubChem CID66661364
Molecular FormulaC21H19F2N5O3
Molecular Weight427.41 g/mol
Exact Mass427.15
IUPAC Name3-(2,4-difluorophenyl)-2-(2-hydroxyethyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]indazole-6-carboxamide
SMILESCc1noc([C@@H](C)NC(=O)c2ccc3c(-c4ccc(F)cc4F)n(CCO)nc3c2)n1
InChIInChI=1S/C21H19F2N5O3/c1-11(21-25-12(2)27-31-21)24-20(30)13-3-5-16-18(9-13)26-28(7-8-29)19(16)15-6-4-14(22)10-17(15)23/h3-6,9-11,29H,7-8H2,1-2H3,(H,24,30)/t11-/m1/s1
InChIKeyYBKITGYQDZLOEV-LLVKDONJSA-N
XLogP3.16
TPSA106.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-2-(2-hydroxyethyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]indazole-6-carboxamide?
The IUPAC name of 3-(2,4-difluorophenyl)-2-(2-hydroxyethyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]indazole-6-carboxamide (CID 66661364) is 3-(2,4-difluorophenyl)-2-(2-hydroxyethyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]indazole-6-carboxamide.
What is the SMILES notation for 3-(2,4-difluorophenyl)-2-(2-hydroxyethyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]indazole-6-carboxamide?
The canonical SMILES for 3-(2,4-difluorophenyl)-2-(2-hydroxyethyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]indazole-6-carboxamide is Cc1noc([C@@H](C)NC(=O)c2ccc3c(-c4ccc(F)cc4F)n(CCO)nc3c2)n1.
What is the InChIKey of 3-(2,4-difluorophenyl)-2-(2-hydroxyethyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]indazole-6-carboxamide?
The InChIKey is YBKITGYQDZLOEV-LLVKDONJSA-N. The full InChI is InChI=1S/C21H19F2N5O3/c1-11(21-25-12(2)27-31-21)24-20(30)13-3-5-16-18(9-13)26-28(7-8-29)19(16)15-6-4-14(22)10-17(15)23/h3-6,9-11,29H,7-8H2,1-2H3,(H,24,30)/t11-/m1/s1.
What are the key properties of 3-(2,4-difluorophenyl)-2-(2-hydroxyethyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]indazole-6-carboxamide?
3-(2,4-difluorophenyl)-2-(2-hydroxyethyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]indazole-6-carboxamide has a molecular weight of 427.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-2-(2-hydroxyethyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]indazole-6-carboxamide is sourced from PubChem (CID 66661364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).