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

C17H15F4N5O — CID 123175727

IUPAC2-[[5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Nc1cncc(-c2c[nH]c3ncc(F)cc23)c1)C(=O)NCC(F)(F)F
InChIInChI=1S/C17H15F4N5O/c1-9(16(27)25-8-17(19,20)21)26-12-2-10(4-22-6-12)14-7-24-15-13(14)3-11(18)5-23-15/h2-7,9,26H,8H2,1H3,(H,23,24)(H,25,27)
InChIKeyCYOCLUISCJYFIL-UHFFFAOYSA-N
MW381.33 g/mol
LogP3.24
Rot. Bonds5

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

2-[[5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 123175727) has the molecular formula C17H15F4N5O and a molecular weight of 381.33 g/mol. Its IUPAC name is 2-[[5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[[5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID123175727
Molecular FormulaC17H15F4N5O
Molecular Weight381.33 g/mol
Exact Mass381.12
IUPAC Name2-[[5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Nc1cncc(-c2c[nH]c3ncc(F)cc23)c1)C(=O)NCC(F)(F)F
InChIInChI=1S/C17H15F4N5O/c1-9(16(27)25-8-17(19,20)21)26-12-2-10(4-22-6-12)14-7-24-15-13(14)3-11(18)5-23-15/h2-7,9,26H,8H2,1H3,(H,23,24)(H,25,27)
InChIKeyCYOCLUISCJYFIL-UHFFFAOYSA-N
XLogP3.24
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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
ethyl N-[3-[5-[[3-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]amino]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate
CID 71548840
2-[[5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]amino]-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 78107980
3-methyl-2-[[5-(5-phenylmethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]amino]-N-(2,2,2-trifluoroethyl)butanamide
CID 89495384
CID 89488619
CID 89488619
3-methyl-2-[[5-[5-[2-(2-oxopyrrolidin-1-yl)ethoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]amino]-N-(2,2,2-trifluoroethyl)butanamide
CID 89495379
(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
4-[[3-[5-[[(2R)-3-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]amino]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]methoxy]piperidine-1-carboxylic acid
CID 129185243
N-[[3-[5-[(7,7,7-trifluoro-2-methyl-4-oxoheptan-3-yl)amino]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]butanamide
CID 147713098
2-[[3-[5-[(7,7,7-trifluoro-2-methyl-4-oxoheptan-3-yl)amino]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamoylamino]propanoic acid
CID 153127829
(2S)-2-amino-3-methyl-2-[5-(5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]-N-(2,2,2-trifluoroethyl)butanamide
CID 89488291
(2S)-3-methyl-N-[5-[5-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-pyridinyl]-2-(2,2,2-trifluoroethylamino)butanamide
CID 123606474

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[[5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 123175727) is 2-[[5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[[5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[[5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]amino]-N-(2,2,2-trifluoroethyl)propanamide is CC(Nc1cncc(-c2c[nH]c3ncc(F)cc23)c1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[[5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is CYOCLUISCJYFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4N5O/c1-9(16(27)25-8-17(19,20)21)26-12-2-10(4-22-6-12)14-7-24-15-13(14)3-11(18)5-23-15/h2-7,9,26H,8H2,1H3,(H,23,24)(H,25,27).
What are the key properties of 2-[[5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[[5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 381.33 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 123175727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).