5-[2-[(2,2-difluorocyclopropanecarbonyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide

C28H23F3N6O2 — CID 168859724

IUPAC5-[2-[(2,2-difluorocyclopropanecarbonyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide
SMILESC[C@H](NC(=O)c1cn(C)c2ccc(-c3ccn4nc(NC(=O)C5CC5(F)F)nc4c3)cc12)c1cccc(F)c1
InChIInChI=1S/C28H23F3N6O2/c1-15(16-4-3-5-19(29)10-16)32-25(38)21-14-36(2)23-7-6-17(11-20(21)23)18-8-9-37-24(12-18)33-27(35-37)34-26(39)22-13-28(22,30)31/h3-12,14-15,22H,13H2,1-2H3,(H,32,38)(H,34,35,39)/t15-,22?/m0/s1
InChIKeyDGQZJIGIOBGFCP-UEDXYCIISA-N
MW532.53 g/mol
LogP5.11
Rot. Bonds6

About 5-[2-[(2,2-difluorocyclopropanecarbonyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide

5-[2-[(2,2-difluorocyclopropanecarbonyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide (PubChem CID 168859724) has the molecular formula C28H23F3N6O2 and a molecular weight of 532.53 g/mol. Its IUPAC name is 5-[2-[(2,2-difluorocyclopropanecarbonyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide.

Molecular Properties

Compound Name5-[2-[(2,2-difluorocyclopropanecarbonyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide
PubChem CID168859724
Molecular FormulaC28H23F3N6O2
Molecular Weight532.53 g/mol
Exact Mass532.18
IUPAC Name5-[2-[(2,2-difluorocyclopropanecarbonyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide
SMILESC[C@H](NC(=O)c1cn(C)c2ccc(-c3ccn4nc(NC(=O)C5CC5(F)F)nc4c3)cc12)c1cccc(F)c1
InChIInChI=1S/C28H23F3N6O2/c1-15(16-4-3-5-19(29)10-16)32-25(38)21-14-36(2)23-7-6-17(11-20(21)23)18-8-9-37-24(12-18)33-27(35-37)34-26(39)22-13-28(22,30)31/h3-12,14-15,22H,13H2,1-2H3,(H,32,38)(H,34,35,39)/t15-,22?/m0/s1
InChIKeyDGQZJIGIOBGFCP-UEDXYCIISA-N
XLogP5.11
TPSA93.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.53
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[2-[(2,2-difluorocyclopropanecarbonyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2,2-difluorocyclopropanecarbonyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide?
The IUPAC name of 5-[2-[(2,2-difluorocyclopropanecarbonyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide (CID 168859724) is 5-[2-[(2,2-difluorocyclopropanecarbonyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide.
What is the SMILES notation for 5-[2-[(2,2-difluorocyclopropanecarbonyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide?
The canonical SMILES for 5-[2-[(2,2-difluorocyclopropanecarbonyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide is C[C@H](NC(=O)c1cn(C)c2ccc(-c3ccn4nc(NC(=O)C5CC5(F)F)nc4c3)cc12)c1cccc(F)c1.
What is the InChIKey of 5-[2-[(2,2-difluorocyclopropanecarbonyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide?
The InChIKey is DGQZJIGIOBGFCP-UEDXYCIISA-N. The full InChI is InChI=1S/C28H23F3N6O2/c1-15(16-4-3-5-19(29)10-16)32-25(38)21-14-36(2)23-7-6-17(11-20(21)23)18-8-9-37-24(12-18)33-27(35-37)34-26(39)22-13-28(22,30)31/h3-12,14-15,22H,13H2,1-2H3,(H,32,38)(H,34,35,39)/t15-,22?/m0/s1.
What are the key properties of 5-[2-[(2,2-difluorocyclopropanecarbonyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide?
5-[2-[(2,2-difluorocyclopropanecarbonyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide has a molecular weight of 532.53 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2,2-difluorocyclopropanecarbonyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide is sourced from PubChem (CID 168859724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).