3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxybutyl]-2-fluoro-6-methylbenzamide

C24H23ClFN5O2 — CID 166596118

IUPAC3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxybutyl]-2-fluoro-6-methylbenzamide
SMILESCc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC[C@@](C)(O)c1ccc(Cl)cc1
InChIInChI=1S/C24H23ClFN5O2/c1-14-3-8-18(15-9-12-31-19(13-15)29-23(27)30-31)21(26)20(14)22(32)28-11-10-24(2,33)16-4-6-17(25)7-5-16/h3-9,12-13,33H,10-11H2,1-2H3,(H2,27,30)(H,28,32)/t24-/m1/s1
InChIKeyWKRKPIJCVMARCO-XMMPIXPASA-N
MW467.93 g/mol
LogP4.11
Rot. Bonds6

About 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxybutyl]-2-fluoro-6-methylbenzamide

3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxybutyl]-2-fluoro-6-methylbenzamide (PubChem CID 166596118) has the molecular formula C24H23ClFN5O2 and a molecular weight of 467.93 g/mol. Its IUPAC name is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxybutyl]-2-fluoro-6-methylbenzamide.

Molecular Properties

Compound Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxybutyl]-2-fluoro-6-methylbenzamide
PubChem CID166596118
Molecular FormulaC24H23ClFN5O2
Molecular Weight467.93 g/mol
Exact Mass467.15
IUPAC Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxybutyl]-2-fluoro-6-methylbenzamide
SMILESCc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC[C@@](C)(O)c1ccc(Cl)cc1
InChIInChI=1S/C24H23ClFN5O2/c1-14-3-8-18(15-9-12-31-19(13-15)29-23(27)30-31)21(26)20(14)22(32)28-11-10-24(2,33)16-4-6-17(25)7-5-16/h3-9,12-13,33H,10-11H2,1-2H3,(H2,27,30)(H,28,32)/t24-/m1/s1
InChIKeyWKRKPIJCVMARCO-XMMPIXPASA-N
XLogP4.11
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.93
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxybutyl]-2-fluoro-6-methylbenzamide?
The IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxybutyl]-2-fluoro-6-methylbenzamide (CID 166596118) is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxybutyl]-2-fluoro-6-methylbenzamide.
What is the SMILES notation for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxybutyl]-2-fluoro-6-methylbenzamide?
The canonical SMILES for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxybutyl]-2-fluoro-6-methylbenzamide is Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC[C@@](C)(O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxybutyl]-2-fluoro-6-methylbenzamide?
The InChIKey is WKRKPIJCVMARCO-XMMPIXPASA-N. The full InChI is InChI=1S/C24H23ClFN5O2/c1-14-3-8-18(15-9-12-31-19(13-15)29-23(27)30-31)21(26)20(14)22(32)28-11-10-24(2,33)16-4-6-17(25)7-5-16/h3-9,12-13,33H,10-11H2,1-2H3,(H2,27,30)(H,28,32)/t24-/m1/s1.
What are the key properties of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxybutyl]-2-fluoro-6-methylbenzamide?
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxybutyl]-2-fluoro-6-methylbenzamide has a molecular weight of 467.93 g/mol, XLogP of 4.11, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(4-chlorophenyl)-3-hydroxybutyl]-2-fluoro-6-methylbenzamide is sourced from PubChem (CID 166596118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).