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

C23H20ClF2N5O2 — CID 164740530

IUPAC3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R,3S)-3-(4-chlorophenyl)-2-fluoro-3-hydroxypropyl]-2-fluoro-6-methylbenzamide
SMILESCc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NC[C@@H](F)[C@@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C23H20ClF2N5O2/c1-12-2-7-16(14-8-9-31-18(10-14)29-23(27)30-31)20(26)19(12)22(33)28-11-17(25)21(32)13-3-5-15(24)6-4-13/h2-10,17,21,32H,11H2,1H3,(H2,27,30)(H,28,33)/t17-,21+/m1/s1
InChIKeyGPXNCTKGLKXRLY-UTKZUKDTSA-N
MW471.90 g/mol
LogP3.88
Rot. Bonds6

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

3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R,3S)-3-(4-chlorophenyl)-2-fluoro-3-hydroxypropyl]-2-fluoro-6-methylbenzamide (PubChem CID 164740530) has the molecular formula C23H20ClF2N5O2 and a molecular weight of 471.90 g/mol. Its IUPAC name is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R,3S)-3-(4-chlorophenyl)-2-fluoro-3-hydroxypropyl]-2-fluoro-6-methylbenzamide.

Molecular Properties

Compound Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R,3S)-3-(4-chlorophenyl)-2-fluoro-3-hydroxypropyl]-2-fluoro-6-methylbenzamide
PubChem CID164740530
Molecular FormulaC23H20ClF2N5O2
Molecular Weight471.90 g/mol
Exact Mass471.13
IUPAC Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R,3S)-3-(4-chlorophenyl)-2-fluoro-3-hydroxypropyl]-2-fluoro-6-methylbenzamide
SMILESCc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NC[C@@H](F)[C@@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C23H20ClF2N5O2/c1-12-2-7-16(14-8-9-31-18(10-14)29-23(27)30-31)20(26)19(12)22(33)28-11-17(25)21(32)13-3-5-15(24)6-4-13/h2-10,17,21,32H,11H2,1H3,(H2,27,30)(H,28,33)/t17-,21+/m1/s1
InChIKeyGPXNCTKGLKXRLY-UTKZUKDTSA-N
XLogP3.88
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.90
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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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-[(2R,3S)-3-(4-chlorophenyl)-2-fluoro-3-hydroxypropyl]-2-fluoro-6-methylbenzamide?
The IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R,3S)-3-(4-chlorophenyl)-2-fluoro-3-hydroxypropyl]-2-fluoro-6-methylbenzamide (CID 164740530) is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R,3S)-3-(4-chlorophenyl)-2-fluoro-3-hydroxypropyl]-2-fluoro-6-methylbenzamide.
What is the SMILES notation for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R,3S)-3-(4-chlorophenyl)-2-fluoro-3-hydroxypropyl]-2-fluoro-6-methylbenzamide?
The canonical SMILES for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R,3S)-3-(4-chlorophenyl)-2-fluoro-3-hydroxypropyl]-2-fluoro-6-methylbenzamide is Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NC[C@@H](F)[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-[(2R,3S)-3-(4-chlorophenyl)-2-fluoro-3-hydroxypropyl]-2-fluoro-6-methylbenzamide?
The InChIKey is GPXNCTKGLKXRLY-UTKZUKDTSA-N. The full InChI is InChI=1S/C23H20ClF2N5O2/c1-12-2-7-16(14-8-9-31-18(10-14)29-23(27)30-31)20(26)19(12)22(33)28-11-17(25)21(32)13-3-5-15(24)6-4-13/h2-10,17,21,32H,11H2,1H3,(H2,27,30)(H,28,33)/t17-,21+/m1/s1.
What are the key properties of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R,3S)-3-(4-chlorophenyl)-2-fluoro-3-hydroxypropyl]-2-fluoro-6-methylbenzamide?
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R,3S)-3-(4-chlorophenyl)-2-fluoro-3-hydroxypropyl]-2-fluoro-6-methylbenzamide has a molecular weight of 471.90 g/mol, XLogP of 3.88, 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-[(2R,3S)-3-(4-chlorophenyl)-2-fluoro-3-hydroxypropyl]-2-fluoro-6-methylbenzamide is sourced from PubChem (CID 164740530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).