2-[[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-triazin-5-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide

C15H13F4N7O — CID 123633229

IUPAC2-[[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-triazin-5-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Nc1cnnc(-c2c[nH]c3ncc(F)cc23)n1)C(=O)NCC(F)(F)F
InChIInChI=1S/C15H13F4N7O/c1-7(14(27)22-6-15(17,18)19)24-11-5-23-26-13(25-11)10-4-21-12-9(10)2-8(16)3-20-12/h2-5,7H,6H2,1H3,(H,20,21)(H,22,27)(H,24,25,26)
InChIKeyZKOWGDSRMYEMSM-UHFFFAOYSA-N
MW383.31 g/mol
LogP2.03
Rot. Bonds5

About 2-[[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-triazin-5-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide

2-[[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-triazin-5-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 123633229) has the molecular formula C15H13F4N7O and a molecular weight of 383.31 g/mol. Its IUPAC name is 2-[[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-triazin-5-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-triazin-5-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID123633229
Molecular FormulaC15H13F4N7O
Molecular Weight383.31 g/mol
Exact Mass383.11
IUPAC Name2-[[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-triazin-5-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Nc1cnnc(-c2c[nH]c3ncc(F)cc23)n1)C(=O)NCC(F)(F)F
InChIInChI=1S/C15H13F4N7O/c1-7(14(27)22-6-15(17,18)19)24-11-5-23-26-13(25-11)10-4-21-12-9(10)2-8(16)3-20-12/h2-5,7H,6H2,1H3,(H,20,21)(H,22,27)(H,24,25,26)
InChIKeyZKOWGDSRMYEMSM-UHFFFAOYSA-N
XLogP2.03
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.31
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-triazin-5-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide with MolForge

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Related Compounds

2-[[3-[5-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2,4-triazin-5-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 123515688
2-[[5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 123175727
(2R)-N-(2,2-difluoroethyl)-2-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]propanamide
CID 59422376
(2S)-2-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-triazin-5-yl]-2-(2,2,2-trifluoroethylamino)propanamide
CID 89488214
3-[5-[[1-(2,2-dimethylpropylamino)-3-methyl-1-oxobutan-2-yl]amino]-1,2,4-triazin-3-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 171352645
(2R)-2-[[6-[5-(5-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazin-2-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 71253178
(2S)-2-amino-2-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-triazin-5-yl]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 89488207
(2S)-2-[[6-(pyrrolidine-1-carbonyl)-2-(7H-pyrrolo[2,3-d]pyrimidin-3-ium-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 123911143
3-[6-[[(2R)-3-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]amino]pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 54576472
2-[[4-cyano-6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-pyridinyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 69303848
(2R)-2-[[6-[5-[(3-fluoropyrrolidin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazin-2-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 71252787
N-(2-hydroxyethyl)-N-methyl-6-[[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]amino]-2-(7H-pyrrolo[2,3-d]pyrimidin-3-ium-5-yl)pyrimidine-4-carboxamide
CID 123915643

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-triazin-5-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-triazin-5-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 123633229) is 2-[[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-triazin-5-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-triazin-5-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-triazin-5-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide is CC(Nc1cnnc(-c2c[nH]c3ncc(F)cc23)n1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-triazin-5-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is ZKOWGDSRMYEMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N7O/c1-7(14(27)22-6-15(17,18)19)24-11-5-23-26-13(25-11)10-4-21-12-9(10)2-8(16)3-20-12/h2-5,7H,6H2,1H3,(H,20,21)(H,22,27)(H,24,25,26).
What are the key properties of 2-[[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-triazin-5-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-triazin-5-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 383.31 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-triazin-5-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 123633229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).