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

C24H23ClFN5O3 — CID 166595716

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

3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(4-chloro-2-methoxyphenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide (PubChem CID 166595716) has the molecular formula C24H23ClFN5O3 and a molecular weight of 483.93 g/mol. Its IUPAC name is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(4-chloro-2-methoxyphenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide.

Molecular Properties

• Compound Name: 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(4-chloro-2-methoxyphenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide
• PubChem CID: 166595716
• Molecular Formula: C24H23ClFN5O3
• Molecular Weight: 483.93 g/mol
• Exact Mass: 483.15
• IUPAC Name: 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(4-chloro-2-methoxyphenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide
• SMILES: COc1cc(Cl)ccc1[C@H](O)CCNC(=O)c1c(C)ccc(-c2ccn3nc(N)nc3c2)c1F
• InChI: InChI=1S/C24H23ClFN5O3/c1-13-3-5-16(14-8-10-31-20(11-14)29-24(27)30-31)22(26)21(13)23(33)28-9-7-18(32)17-6-4-15(25)12-19(17)34-2/h3-6,8,10-12,18,32H,7,9H2,1-2H3,(H2,27,30)(H,28,33)/t18-/m1/s1
• InChIKey: XXXNLTQQWQAHRA-GOSISDBHSA-N
• XLogP: 3.94
• TPSA: 114.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.93
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

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-chloro-2-methoxyphenyl)-3-hydroxypropyl]-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-chloro-2-methoxyphenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide (CID 166595716) is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(4-chloro-2-methoxyphenyl)-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-[(3R)-3-(4-chloro-2-methoxyphenyl)-3-hydroxypropyl]-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-chloro-2-methoxyphenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide is COc1cc(Cl)ccc1[C@H](O)CCNC(=O)c1c(C)ccc(-c2ccn3nc(N)nc3c2)c1F.

What is the InChIKey of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(4-chloro-2-methoxyphenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide?

The InChIKey is XXXNLTQQWQAHRA-GOSISDBHSA-N. The full InChI is InChI=1S/C24H23ClFN5O3/c1-13-3-5-16(14-8-10-31-20(11-14)29-24(27)30-31)22(26)21(13)23(33)28-9-7-18(32)17-6-4-15(25)12-19(17)34-2/h3-6,8,10-12,18,32H,7,9H2,1-2H3,(H2,27,30)(H,28,33)/t18-/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-chloro-2-methoxyphenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide?

3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(4-chloro-2-methoxyphenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide has a molecular weight of 483.93 g/mol, XLogP of 3.94, 7 rotatable bonds, 3 hydrogen bond donors, and 7 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-chloro-2-methoxyphenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide is sourced from PubChem (CID 166595716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).