6-[[5-[difluoro(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3,3-dimethyl-2-oxoindole-1-carboxylic acid

C23H23F2N5O4 — CID 68589342

IUPAC6-[[5-[difluoro(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3,3-dimethyl-2-oxoindole-1-carboxylic acid
SMILESCC1(C)C(=O)N(C(=O)O)c2cc(Nc3nc4cccc(C(F)(F)C5CCOCC5)n4n3)ccc21
InChIInChI=1S/C23H23F2N5O4/c1-22(2)15-7-6-14(12-16(15)29(19(22)31)21(32)33)26-20-27-18-5-3-4-17(30(18)28-20)23(24,25)13-8-10-34-11-9-13/h3-7,12-13H,8-11H2,1-2H3,(H,26,28)(H,32,33)
InChIKeyBHDCAKJENQEAIZ-UHFFFAOYSA-N
MW471.46 g/mol
LogP4.29
Rot. Bonds4

About 6-[[5-[difluoro(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3,3-dimethyl-2-oxoindole-1-carboxylic acid

6-[[5-[difluoro(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3,3-dimethyl-2-oxoindole-1-carboxylic acid (PubChem CID 68589342) has the molecular formula C23H23F2N5O4 and a molecular weight of 471.46 g/mol. Its IUPAC name is 6-[[5-[difluoro(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3,3-dimethyl-2-oxoindole-1-carboxylic acid.

Molecular Properties

Compound Name6-[[5-[difluoro(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3,3-dimethyl-2-oxoindole-1-carboxylic acid
PubChem CID68589342
Molecular FormulaC23H23F2N5O4
Molecular Weight471.46 g/mol
Exact Mass471.17
IUPAC Name6-[[5-[difluoro(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3,3-dimethyl-2-oxoindole-1-carboxylic acid
SMILESCC1(C)C(=O)N(C(=O)O)c2cc(Nc3nc4cccc(C(F)(F)C5CCOCC5)n4n3)ccc21
InChIInChI=1S/C23H23F2N5O4/c1-22(2)15-7-6-14(12-16(15)29(19(22)31)21(32)33)26-20-27-18-5-3-4-17(30(18)28-20)23(24,25)13-8-10-34-11-9-13/h3-7,12-13H,8-11H2,1-2H3,(H,26,28)(H,32,33)
InChIKeyBHDCAKJENQEAIZ-UHFFFAOYSA-N
XLogP4.29
TPSA109.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.46
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-[difluoro(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3,3-dimethyl-2-oxoindole-1-carboxylic acid?
The IUPAC name of 6-[[5-[difluoro(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3,3-dimethyl-2-oxoindole-1-carboxylic acid (CID 68589342) is 6-[[5-[difluoro(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3,3-dimethyl-2-oxoindole-1-carboxylic acid.
What is the SMILES notation for 6-[[5-[difluoro(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3,3-dimethyl-2-oxoindole-1-carboxylic acid?
The canonical SMILES for 6-[[5-[difluoro(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3,3-dimethyl-2-oxoindole-1-carboxylic acid is CC1(C)C(=O)N(C(=O)O)c2cc(Nc3nc4cccc(C(F)(F)C5CCOCC5)n4n3)ccc21.
What is the InChIKey of 6-[[5-[difluoro(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3,3-dimethyl-2-oxoindole-1-carboxylic acid?
The InChIKey is BHDCAKJENQEAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O4/c1-22(2)15-7-6-14(12-16(15)29(19(22)31)21(32)33)26-20-27-18-5-3-4-17(30(18)28-20)23(24,25)13-8-10-34-11-9-13/h3-7,12-13H,8-11H2,1-2H3,(H,26,28)(H,32,33).
What are the key properties of 6-[[5-[difluoro(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3,3-dimethyl-2-oxoindole-1-carboxylic acid?
6-[[5-[difluoro(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3,3-dimethyl-2-oxoindole-1-carboxylic acid has a molecular weight of 471.46 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[difluoro(oxan-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3,3-dimethyl-2-oxoindole-1-carboxylic acid is sourced from PubChem (CID 68589342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).