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

C23H19F4N5O2 — CID 166596026

IUPAC5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)c(-c2ccn3nc(N)nc3c2)cc1C(=O)NCC(F)(F)[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C23H19F4N5O2/c1-12-8-18(25)17(14-6-7-32-19(9-14)30-22(28)31-32)10-16(12)21(34)29-11-23(26,27)20(33)13-2-4-15(24)5-3-13/h2-10,20,33H,11H2,1H3,(H2,28,31)(H,29,34)/t20-/m1/s1
InChIKeyDNWHHGJZSGNIPU-HXUWFJFHSA-N
MW473.43 g/mol
LogP3.66
Rot. Bonds6

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

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-4-fluoro-2-methylbenzamide (PubChem CID 166596026) has the molecular formula C23H19F4N5O2 and a molecular weight of 473.43 g/mol. Its IUPAC name is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-4-fluoro-2-methylbenzamide.

Molecular Properties

Compound Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-4-fluoro-2-methylbenzamide
PubChem CID166596026
Molecular FormulaC23H19F4N5O2
Molecular Weight473.43 g/mol
Exact Mass473.15
IUPAC Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)c(-c2ccn3nc(N)nc3c2)cc1C(=O)NCC(F)(F)[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C23H19F4N5O2/c1-12-8-18(25)17(14-6-7-32-19(9-14)30-22(28)31-32)10-16(12)21(34)29-11-23(26,27)20(33)13-2-4-15(24)5-3-13/h2-10,20,33H,11H2,1H3,(H2,28,31)(H,29,34)/t20-/m1/s1
InChIKeyDNWHHGJZSGNIPU-HXUWFJFHSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-4-fluoro-2-methylbenzamide?
The IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-4-fluoro-2-methylbenzamide (CID 166596026) is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-4-fluoro-2-methylbenzamide.
What is the SMILES notation for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-4-fluoro-2-methylbenzamide?
The canonical SMILES for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-4-fluoro-2-methylbenzamide is Cc1cc(F)c(-c2ccn3nc(N)nc3c2)cc1C(=O)NCC(F)(F)[C@H](O)c1ccc(F)cc1.
What is the InChIKey of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-4-fluoro-2-methylbenzamide?
The InChIKey is DNWHHGJZSGNIPU-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H19F4N5O2/c1-12-8-18(25)17(14-6-7-32-19(9-14)30-22(28)31-32)10-16(12)21(34)29-11-23(26,27)20(33)13-2-4-15(24)5-3-13/h2-10,20,33H,11H2,1H3,(H2,28,31)(H,29,34)/t20-/m1/s1.
What are the key properties of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-4-fluoro-2-methylbenzamide?
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-4-fluoro-2-methylbenzamide has a molecular weight of 473.43 g/mol, XLogP of 3.66, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-4-fluoro-2-methylbenzamide is sourced from PubChem (CID 166596026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).