(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

C21H23F4N7O — CID 71252787

IUPAC(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
SMILESC[C@@H](Nc1cncc(-c2c[nH]c3ncc(CN4CCC(F)C4)cc23)n1)C(=O)NCC(F)(F)F
InChIInChI=1S/C21H23F4N7O/c1-12(20(33)29-11-21(23,24)25)30-18-8-26-7-17(31-18)16-6-28-19-15(16)4-13(5-27-19)9-32-3-2-14(22)10-32/h4-8,12,14H,2-3,9-11H2,1H3,(H,27,28)(H,29,33)(H,30,31)/t12-,14?/m1/s1
InChIKeyOHEUBZOTYYBJAH-PUODRLBUSA-N
MW465.46 g/mol
LogP3.04
Rot. Bonds7

About (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

(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 (PubChem CID 71252787) has the molecular formula C21H23F4N7O and a molecular weight of 465.46 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID71252787
Molecular FormulaC21H23F4N7O
Molecular Weight465.46 g/mol
Exact Mass465.19
IUPAC Name(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
SMILESC[C@@H](Nc1cncc(-c2c[nH]c3ncc(CN4CCC(F)C4)cc23)n1)C(=O)NCC(F)(F)F
InChIInChI=1S/C21H23F4N7O/c1-12(20(33)29-11-21(23,24)25)30-18-8-26-7-17(31-18)16-6-28-19-15(16)4-13(5-27-19)9-32-3-2-14(22)10-32/h4-8,12,14H,2-3,9-11H2,1H3,(H,27,28)(H,29,33)(H,30,31)/t12-,14?/m1/s1
InChIKeyOHEUBZOTYYBJAH-PUODRLBUSA-N
XLogP3.04
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Related Compounds

(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
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
(2R)-2-[[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 71253229
2-[[4-cyano-6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-pyridinyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 69303848
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
(2R)-6,6,6-trifluoro-2-[[6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]amino]hexan-3-one
CID 158903791
(2R)-4-acetyl-1-[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 54579563
2-[[5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 123175727
(2R)-2-[[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 71252770
(2R)-1-[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 71252889
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
(2R)-N-[(2-chloro-3-pyridinyl)methyl]-2-[[6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazin-2-yl]amino]propanamide
CID 89405055

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@H](Nc1cncc(-c2c[nH]c3ncc(CN4CCC(F)C4)cc23)n1)C(=O)NCC(F)(F)F.
What is the InChIKey of (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?
The InChIKey is OHEUBZOTYYBJAH-PUODRLBUSA-N. The full InChI is InChI=1S/C21H23F4N7O/c1-12(20(33)29-11-21(23,24)25)30-18-8-26-7-17(31-18)16-6-28-19-15(16)4-13(5-27-19)9-32-3-2-14(22)10-32/h4-8,12,14H,2-3,9-11H2,1H3,(H,27,28)(H,29,33)(H,30,31)/t12-,14?/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 465.46 g/mol, XLogP of 3.04, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 71252787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).