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

C22H17ClF3N5O2 — CID 163265631

IUPAC3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-2-fluoro-N-[(2R,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
SMILESNc1nc2cc(-c3ccc(Cl)c(C(=O)NC[C@@H](F)[C@@H](O)c4ccc(F)cc4)c3F)ccn2n1
InChIInChI=1S/C22H17ClF3N5O2/c23-15-6-5-14(12-7-8-31-17(9-12)29-22(27)30-31)19(26)18(15)21(33)28-10-16(25)20(32)11-1-3-13(24)4-2-11/h1-9,16,20,32H,10H2,(H2,27,30)(H,28,33)/t16-,20+/m1/s1
InChIKeyIUSXFQNTDSJZSX-UZLBHIALSA-N
MW475.86 g/mol
LogP3.71
Rot. Bonds6

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

3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-2-fluoro-N-[(2R,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxypropyl]benzamide (PubChem CID 163265631) has the molecular formula C22H17ClF3N5O2 and a molecular weight of 475.86 g/mol. Its IUPAC name is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-2-fluoro-N-[(2R,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxypropyl]benzamide.

Molecular Properties

Compound Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-2-fluoro-N-[(2R,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
PubChem CID163265631
Molecular FormulaC22H17ClF3N5O2
Molecular Weight475.86 g/mol
Exact Mass475.10
IUPAC Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-2-fluoro-N-[(2R,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
SMILESNc1nc2cc(-c3ccc(Cl)c(C(=O)NC[C@@H](F)[C@@H](O)c4ccc(F)cc4)c3F)ccn2n1
InChIInChI=1S/C22H17ClF3N5O2/c23-15-6-5-14(12-7-8-31-17(9-12)29-22(27)30-31)19(26)18(15)21(33)28-10-16(25)20(32)11-1-3-13(24)4-2-11/h1-9,16,20,32H,10H2,(H2,27,30)(H,28,33)/t16-,20+/m1/s1
InChIKeyIUSXFQNTDSJZSX-UZLBHIALSA-N
XLogP3.71
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.86
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

WO2022086828, Example 274
CID 163265520
WO2022086828, Example 2
CID 163265561
WO2022086828, Example 228
CID 163265625
WO2022086828, Example 108
CID 163265626
WO2022086828, Example 207
CID 163265649
WO2022086828, Example 212
CID 163265650
WO2022086828, Example 120
CID 163265656
WO2022086828, Example 53
CID 163265671
WO2022086828, Example 227
CID 163265674
WO2022086828, Example 160
CID 163265712
WO2022086828, Example 315
CID 163265758
WO2022086828, Example 30
CID 163265765

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-2-fluoro-N-[(2R,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxypropyl]benzamide?
The IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-2-fluoro-N-[(2R,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxypropyl]benzamide (CID 163265631) is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-2-fluoro-N-[(2R,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxypropyl]benzamide.
What is the SMILES notation for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-2-fluoro-N-[(2R,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxypropyl]benzamide?
The canonical SMILES for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-2-fluoro-N-[(2R,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxypropyl]benzamide is Nc1nc2cc(-c3ccc(Cl)c(C(=O)NC[C@@H](F)[C@@H](O)c4ccc(F)cc4)c3F)ccn2n1.
What is the InChIKey of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-2-fluoro-N-[(2R,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxypropyl]benzamide?
The InChIKey is IUSXFQNTDSJZSX-UZLBHIALSA-N. The full InChI is InChI=1S/C22H17ClF3N5O2/c23-15-6-5-14(12-7-8-31-17(9-12)29-22(27)30-31)19(26)18(15)21(33)28-10-16(25)20(32)11-1-3-13(24)4-2-11/h1-9,16,20,32H,10H2,(H2,27,30)(H,28,33)/t16-,20+/m1/s1.
What are the key properties of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-2-fluoro-N-[(2R,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxypropyl]benzamide?
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-2-fluoro-N-[(2R,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxypropyl]benzamide has a molecular weight of 475.86 g/mol, XLogP of 3.71, 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)-6-chloro-2-fluoro-N-[(2R,3S)-2-fluoro-3-(4-fluorophenyl)-3-hydroxypropyl]benzamide is sourced from PubChem (CID 163265631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).