7-amino-6-(2,6-difluoro-3-hydroxyphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

C16H15F2N5O2 — CID 177042711

IUPAC7-amino-6-(2,6-difluoro-3-hydroxyphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESCC(C)c1nc2c(C(N)=O)c(N)c(-c3c(F)ccc(O)c3F)cn2n1
InChIInChI=1S/C16H15F2N5O2/c1-6(2)15-21-16-11(14(20)25)13(19)7(5-23(16)22-15)10-8(17)3-4-9(24)12(10)18/h3-6,24H,19H2,1-2H3,(H2,20,25)
InChIKeyJFCPEHXSLHRGAI-UHFFFAOYSA-N
MW347.33 g/mol
LogP2.18
Rot. Bonds3

About 7-amino-6-(2,6-difluoro-3-hydroxyphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

7-amino-6-(2,6-difluoro-3-hydroxyphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (PubChem CID 177042711) has the molecular formula C16H15F2N5O2 and a molecular weight of 347.33 g/mol. Its IUPAC name is 7-amino-6-(2,6-difluoro-3-hydroxyphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name7-amino-6-(2,6-difluoro-3-hydroxyphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
PubChem CID177042711
Molecular FormulaC16H15F2N5O2
Molecular Weight347.33 g/mol
Exact Mass347.12
IUPAC Name7-amino-6-(2,6-difluoro-3-hydroxyphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESCC(C)c1nc2c(C(N)=O)c(N)c(-c3c(F)ccc(O)c3F)cn2n1
InChIInChI=1S/C16H15F2N5O2/c1-6(2)15-21-16-11(14(20)25)13(19)7(5-23(16)22-15)10-8(17)3-4-9(24)12(10)18/h3-6,24H,19H2,1-2H3,(H2,20,25)
InChIKeyJFCPEHXSLHRGAI-UHFFFAOYSA-N
XLogP2.18
TPSA119.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(1,3-Dimethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxyphenyl)methanone
CID 2125445
(5-Fluoro-2-hydroxyphenyl)-[1-(2-hydroxyethyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]methanone
CID 4884014
(5-fluoro-2-hydroxyphenyl)(3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 4884005
4-(3-Hydroxyanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 44338541
(5-Fluoro-2-hydroxyphenyl)-(3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridin-5-yl)methanone
CID 4798154
2-{1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbonyl}-4-fluorophenol
CID 4884010
[1-(4-Fluorophenyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxyphenyl)methanone
CID 154760615
[1-(2-Fluorophenyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxyphenyl)methanone
CID 156021740
[2-Ethyl-3-(4-fluoro-phenyl)-pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxy-phenyl)-methanone
CID 1447960
[2-Ethyl-3-(4-fluoro-phenyl)-pyrazolo[1,5-a]pyrimidin-6-yl]-(2-hydroxy-5-methyl-phenyl)-methanone
CID 1447962
5-[1-[4-Amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-tert-butyl-4-phenylpyridazin-3-one
CID 118938043
(2S)-2-[[7-cyclohexyl-6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-(4-hydroxyphenyl)acetic acid
CID 15958188

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(2,6-difluoro-3-hydroxyphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The IUPAC name of 7-amino-6-(2,6-difluoro-3-hydroxyphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (CID 177042711) is 7-amino-6-(2,6-difluoro-3-hydroxyphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.
What is the SMILES notation for 7-amino-6-(2,6-difluoro-3-hydroxyphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The canonical SMILES for 7-amino-6-(2,6-difluoro-3-hydroxyphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is CC(C)c1nc2c(C(N)=O)c(N)c(-c3c(F)ccc(O)c3F)cn2n1.
What is the InChIKey of 7-amino-6-(2,6-difluoro-3-hydroxyphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The InChIKey is JFCPEHXSLHRGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O2/c1-6(2)15-21-16-11(14(20)25)13(19)7(5-23(16)22-15)10-8(17)3-4-9(24)12(10)18/h3-6,24H,19H2,1-2H3,(H2,20,25).
What are the key properties of 7-amino-6-(2,6-difluoro-3-hydroxyphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
7-amino-6-(2,6-difluoro-3-hydroxyphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide has a molecular weight of 347.33 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(2,6-difluoro-3-hydroxyphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 177042711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).