3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-6-ethyl-2-fluorobenzamide

C24H23ClFN5O2 — CID 164740575

IUPAC3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-6-ethyl-2-fluorobenzamide
SMILESCCc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC[C@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C24H23ClFN5O2/c1-2-14-5-8-18(16-10-12-31-20(13-16)29-24(27)30-31)22(26)21(14)23(33)28-11-9-19(32)15-3-6-17(25)7-4-15/h3-8,10,12-13,19,32H,2,9,11H2,1H3,(H2,27,30)(H,28,33)/t19-/m0/s1
InChIKeySYZZNLUQYKUJAD-IBGZPJMESA-N
MW467.93 g/mol
LogP4.19
Rot. Bonds7

About 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-6-ethyl-2-fluorobenzamide

3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-6-ethyl-2-fluorobenzamide (PubChem CID 164740575) 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-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-6-ethyl-2-fluorobenzamide.

Molecular Properties

Compound Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-6-ethyl-2-fluorobenzamide
PubChem CID164740575
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-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-6-ethyl-2-fluorobenzamide
SMILESCCc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC[C@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C24H23ClFN5O2/c1-2-14-5-8-18(16-10-12-31-20(13-16)29-24(27)30-31)22(26)21(14)23(33)28-11-9-19(32)15-3-6-17(25)7-4-15/h3-8,10,12-13,19,32H,2,9,11H2,1H3,(H2,27,30)(H,28,33)/t19-/m0/s1
InChIKeySYZZNLUQYKUJAD-IBGZPJMESA-N
XLogP4.19
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.93
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-6-ethyl-2-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-6-ethyl-2-fluorobenzamide?
The IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-6-ethyl-2-fluorobenzamide (CID 164740575) is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-6-ethyl-2-fluorobenzamide.
What is the SMILES notation for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-6-ethyl-2-fluorobenzamide?
The canonical SMILES for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-6-ethyl-2-fluorobenzamide is CCc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCC[C@H](O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-6-ethyl-2-fluorobenzamide?
The InChIKey is SYZZNLUQYKUJAD-IBGZPJMESA-N. The full InChI is InChI=1S/C24H23ClFN5O2/c1-2-14-5-8-18(16-10-12-31-20(13-16)29-24(27)30-31)22(26)21(14)23(33)28-11-9-19(32)15-3-6-17(25)7-4-15/h3-8,10,12-13,19,32H,2,9,11H2,1H3,(H2,27,30)(H,28,33)/t19-/m0/s1.
What are the key properties of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-6-ethyl-2-fluorobenzamide?
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-6-ethyl-2-fluorobenzamide has a molecular weight of 467.93 g/mol, XLogP of 4.19, 7 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-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-6-ethyl-2-fluorobenzamide is sourced from PubChem (CID 164740575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).