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

C23H18F5N5O2 — CID 166596483

IUPAC5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-3,4-difluoro-2-methylbenzamide
SMILESCc1c(C(=O)NCC(F)(F)[C@@H](O)c2ccc(F)cc2)cc(-c2ccn3nc(N)nc3c2)c(F)c1F
InChIInChI=1S/C23H18F5N5O2/c1-11-15(21(35)30-10-23(27,28)20(34)12-2-4-14(24)5-3-12)9-16(19(26)18(11)25)13-6-7-33-17(8-13)31-22(29)32-33/h2-9,20,34H,10H2,1H3,(H2,29,32)(H,30,35)/t20-/m0/s1
InChIKeyUYFPVIQBUYGAII-FQEVSTJZSA-N
MW491.42 g/mol
LogP3.80
Rot. Bonds6

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

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-3,4-difluoro-2-methylbenzamide (PubChem CID 166596483) has the molecular formula C23H18F5N5O2 and a molecular weight of 491.42 g/mol. Its IUPAC name is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-3,4-difluoro-2-methylbenzamide.

Molecular Properties

Compound Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-3,4-difluoro-2-methylbenzamide
PubChem CID166596483
Molecular FormulaC23H18F5N5O2
Molecular Weight491.42 g/mol
Exact Mass491.14
IUPAC Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-3,4-difluoro-2-methylbenzamide
SMILESCc1c(C(=O)NCC(F)(F)[C@@H](O)c2ccc(F)cc2)cc(-c2ccn3nc(N)nc3c2)c(F)c1F
InChIInChI=1S/C23H18F5N5O2/c1-11-15(21(35)30-10-23(27,28)20(34)12-2-4-14(24)5-3-12)9-16(19(26)18(11)25)13-6-7-33-17(8-13)31-22(29)32-33/h2-9,20,34H,10H2,1H3,(H2,29,32)(H,30,35)/t20-/m0/s1
InChIKeyUYFPVIQBUYGAII-FQEVSTJZSA-N
XLogP3.80
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.42
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-3,4-difluoro-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-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-3,4-difluoro-2-methylbenzamide?
The IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-3,4-difluoro-2-methylbenzamide (CID 166596483) is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-3,4-difluoro-2-methylbenzamide.
What is the SMILES notation for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-3,4-difluoro-2-methylbenzamide?
The canonical SMILES for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-3,4-difluoro-2-methylbenzamide is Cc1c(C(=O)NCC(F)(F)[C@@H](O)c2ccc(F)cc2)cc(-c2ccn3nc(N)nc3c2)c(F)c1F.
What is the InChIKey of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-3,4-difluoro-2-methylbenzamide?
The InChIKey is UYFPVIQBUYGAII-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H18F5N5O2/c1-11-15(21(35)30-10-23(27,28)20(34)12-2-4-14(24)5-3-12)9-16(19(26)18(11)25)13-6-7-33-17(8-13)31-22(29)32-33/h2-9,20,34H,10H2,1H3,(H2,29,32)(H,30,35)/t20-/m0/s1.
What are the key properties of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-3,4-difluoro-2-methylbenzamide?
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-3,4-difluoro-2-methylbenzamide has a molecular weight of 491.42 g/mol, XLogP of 3.80, 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-[(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxypropyl]-3,4-difluoro-2-methylbenzamide is sourced from PubChem (CID 166596483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).