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

C23H19F4N5O2 — CID 166595616

IUPAC3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2S)-3,3-difluoro-3-(4-fluorophenyl)-2-hydroxypropyl]-2-fluoro-6-methylbenzamide
SMILESCc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NC[C@H](O)C(F)(F)c1ccc(F)cc1
InChIInChI=1S/C23H19F4N5O2/c1-12-2-7-16(13-8-9-32-18(10-13)30-22(28)31-32)20(25)19(12)21(34)29-11-17(33)23(26,27)14-3-5-15(24)6-4-14/h2-10,17,33H,11H2,1H3,(H2,28,31)(H,29,34)/t17-/m0/s1
InChIKeyZJUJVFQXYFFLSK-KRWDZBQOSA-N
MW473.43 g/mol
LogP3.45
Rot. Bonds6

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

3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2S)-3,3-difluoro-3-(4-fluorophenyl)-2-hydroxypropyl]-2-fluoro-6-methylbenzamide (PubChem CID 166595616) has the molecular formula C23H19F4N5O2 and a molecular weight of 473.43 g/mol. Its IUPAC name is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2S)-3,3-difluoro-3-(4-fluorophenyl)-2-hydroxypropyl]-2-fluoro-6-methylbenzamide.

Molecular Properties

Compound Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2S)-3,3-difluoro-3-(4-fluorophenyl)-2-hydroxypropyl]-2-fluoro-6-methylbenzamide
PubChem CID166595616
Molecular FormulaC23H19F4N5O2
Molecular Weight473.43 g/mol
Exact Mass473.15
IUPAC Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2S)-3,3-difluoro-3-(4-fluorophenyl)-2-hydroxypropyl]-2-fluoro-6-methylbenzamide
SMILESCc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NC[C@H](O)C(F)(F)c1ccc(F)cc1
InChIInChI=1S/C23H19F4N5O2/c1-12-2-7-16(13-8-9-32-18(10-13)30-22(28)31-32)20(25)19(12)21(34)29-11-17(33)23(26,27)14-3-5-15(24)6-4-14/h2-10,17,33H,11H2,1H3,(H2,28,31)(H,29,34)/t17-/m0/s1
InChIKeyZJUJVFQXYFFLSK-KRWDZBQOSA-N
XLogP3.45
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.43
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2S)-3,3-difluoro-3-(4-fluorophenyl)-2-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-[(2S)-3,3-difluoro-3-(4-fluorophenyl)-2-hydroxypropyl]-2-fluoro-6-methylbenzamide?
The IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2S)-3,3-difluoro-3-(4-fluorophenyl)-2-hydroxypropyl]-2-fluoro-6-methylbenzamide (CID 166595616) is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2S)-3,3-difluoro-3-(4-fluorophenyl)-2-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-[(2S)-3,3-difluoro-3-(4-fluorophenyl)-2-hydroxypropyl]-2-fluoro-6-methylbenzamide?
The canonical SMILES for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2S)-3,3-difluoro-3-(4-fluorophenyl)-2-hydroxypropyl]-2-fluoro-6-methylbenzamide is Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NC[C@H](O)C(F)(F)c1ccc(F)cc1.
What is the InChIKey of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2S)-3,3-difluoro-3-(4-fluorophenyl)-2-hydroxypropyl]-2-fluoro-6-methylbenzamide?
The InChIKey is ZJUJVFQXYFFLSK-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H19F4N5O2/c1-12-2-7-16(13-8-9-32-18(10-13)30-22(28)31-32)20(25)19(12)21(34)29-11-17(33)23(26,27)14-3-5-15(24)6-4-14/h2-10,17,33H,11H2,1H3,(H2,28,31)(H,29,34)/t17-/m0/s1.
What are the key properties of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2S)-3,3-difluoro-3-(4-fluorophenyl)-2-hydroxypropyl]-2-fluoro-6-methylbenzamide?
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2S)-3,3-difluoro-3-(4-fluorophenyl)-2-hydroxypropyl]-2-fluoro-6-methylbenzamide has a molecular weight of 473.43 g/mol, XLogP of 3.45, 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-[(2S)-3,3-difluoro-3-(4-fluorophenyl)-2-hydroxypropyl]-2-fluoro-6-methylbenzamide is sourced from PubChem (CID 166595616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).