N-ethyl-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N,2-dimethylpropanamide;N-ethyl-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methylpropanamide;(2R)-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen

C52H70F6N18O3 — CID 159993690

IUPACN-ethyl-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N,2-dimethylpropanamide;N-ethyl-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methylpropanamide;(2R)-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen
SMILESCCN(C)C(=O)C(C)(C)Nc1nc(-c2c[nH]c3ncccc23)ncc1F.CCNC(=O)C(C)(C)Nc1nc(-c2c[nH]c3ncccc23)ncc1F.C[C@@H](Nc1nc(-c2c[nH]c3ncccc23)ncc1F)C(=O)N(C)CC(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C18H21FN6O.C17H16F4N6O.C17H19FN6O.7H2/c1-5-25(4)17(26)18(2,3)24-16-13(19)10-22-15(23-16)12-9-21-14-11(12)7-6-8-20-14;1-9(16(28)27(2)8-17(19,20)21)25-15-12(18)7-24-14(26-15)11-6-23-13-10(11)4-3-5-22-13;1-4-19-16(25)17(2,3)24-15-12(18)9-22-14(23-15)11-8-21-13-10(11)6-5-7-20-13;;;;;;;/h6-10H,5H2,1-4H3,(H,20,21)(H,22,23,24);3-7,9H,8H2,1-2H3,(H,22,23)(H,24,25,26);5-9H,4H2,1-3H3,(H,19,25)(H,20,21)(H,22,23,24);7*1H/t;9-;;;;;;;;/m.1......../s1
InChIKeyOHGUEKXKDZMCIB-WWUIMGSLSA-N
MW1109.24 g/mol
LogP10.02
Rot. Bonds15

About N-ethyl-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N,2-dimethylpropanamide;N-ethyl-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methylpropanamide;(2R)-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen

N-ethyl-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N,2-dimethylpropanamide;N-ethyl-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methylpropanamide;(2R)-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen (PubChem CID 159993690) has the molecular formula C52H70F6N18O3 and a molecular weight of 1109.24 g/mol. Its IUPAC name is N-ethyl-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N,2-dimethylpropanamide;N-ethyl-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methylpropanamide;(2R)-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen.

Molecular Properties

Compound NameN-ethyl-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N,2-dimethylpropanamide;N-ethyl-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methylpropanamide;(2R)-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen
PubChem CID159993690
Molecular FormulaC52H70F6N18O3
Molecular Weight1109.24 g/mol
Exact Mass1108.58
IUPAC NameN-ethyl-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N,2-dimethylpropanamide;N-ethyl-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methylpropanamide;(2R)-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen
SMILESCCN(C)C(=O)C(C)(C)Nc1nc(-c2c[nH]c3ncccc23)ncc1F.CCNC(=O)C(C)(C)Nc1nc(-c2c[nH]c3ncccc23)ncc1F.C[C@@H](Nc1nc(-c2c[nH]c3ncccc23)ncc1F)C(=O)N(C)CC(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C18H21FN6O.C17H16F4N6O.C17H19FN6O.7H2/c1-5-25(4)17(26)18(2,3)24-16-13(19)10-22-15(23-16)12-9-21-14-11(12)7-6-8-20-14;1-9(16(28)27(2)8-17(19,20)21)25-15-12(18)7-24-14(26-15)11-6-23-13-10(11)4-3-5-22-13;1-4-19-16(25)17(2,3)24-15-12(18)9-22-14(23-15)11-8-21-13-10(11)6-5-7-20-13;;;;;;;/h6-10H,5H2,1-4H3,(H,20,21)(H,22,23,24);3-7,9H,8H2,1-2H3,(H,22,23)(H,24,25,26);5-9H,4H2,1-3H3,(H,19,25)(H,20,21)(H,22,23,24);7*1H/t;9-;;;;;;;;/m.1......../s1
InChIKeyOHGUEKXKDZMCIB-WWUIMGSLSA-N
XLogP10.02
TPSA269.19 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms79
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001109.24
LogP ≤ 510.02
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Analyze N-ethyl-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N,2-dimethylpropanamide;N-ethyl-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methylpropanamide;(2R)-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen with MolForge

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Related Compounds

VX 509
CID 59422203
4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-2-one
CID 156596354
(4-Amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl)(2-phenylpyrrolidin-1-yl)methanone
CID 11596252
4-Amino-N-(4-fluorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 45141814
4-Amino-N-(2,4-difluorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 45142023
4-amino-N-[1-(4-fluorophenyl)ethyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 57750418
US10399987, Example 5
CID 126537449
US10399987, Example 4
CID 126537550
9-Cyclopentyl-N-(5-(4-((dimethylamino)acetyl)-1-piperazinyl)-2-pyridinyl)-8-fluoro-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-amine
CID 58299625
US11414413, Example 37
CID 134225068
4-amino-N-(1-pyridin-3-ylethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 71583048
4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,4,9-triazaspiro[5.5]undecan-2-one
CID 166630951

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N,2-dimethylpropanamide;N-ethyl-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methylpropanamide;(2R)-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen?
The IUPAC name of N-ethyl-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N,2-dimethylpropanamide;N-ethyl-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methylpropanamide;(2R)-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen (CID 159993690) is N-ethyl-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N,2-dimethylpropanamide;N-ethyl-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methylpropanamide;(2R)-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen.
What is the SMILES notation for N-ethyl-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N,2-dimethylpropanamide;N-ethyl-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methylpropanamide;(2R)-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen?
The canonical SMILES for N-ethyl-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N,2-dimethylpropanamide;N-ethyl-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methylpropanamide;(2R)-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen is CCN(C)C(=O)C(C)(C)Nc1nc(-c2c[nH]c3ncccc23)ncc1F.CCNC(=O)C(C)(C)Nc1nc(-c2c[nH]c3ncccc23)ncc1F.C[C@@H](Nc1nc(-c2c[nH]c3ncccc23)ncc1F)C(=O)N(C)CC(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of N-ethyl-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N,2-dimethylpropanamide;N-ethyl-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methylpropanamide;(2R)-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen?
The InChIKey is OHGUEKXKDZMCIB-WWUIMGSLSA-N. The full InChI is InChI=1S/C18H21FN6O.C17H16F4N6O.C17H19FN6O.7H2/c1-5-25(4)17(26)18(2,3)24-16-13(19)10-22-15(23-16)12-9-21-14-11(12)7-6-8-20-14;1-9(16(28)27(2)8-17(19,20)21)25-15-12(18)7-24-14(26-15)11-6-23-13-10(11)4-3-5-22-13;1-4-19-16(25)17(2,3)24-15-12(18)9-22-14(23-15)11-8-21-13-10(11)6-5-7-20-13;;;;;;;/h6-10H,5H2,1-4H3,(H,20,21)(H,22,23,24);3-7,9H,8H2,1-2H3,(H,22,23)(H,24,25,26);5-9H,4H2,1-3H3,(H,19,25)(H,20,21)(H,22,23,24);7*1H/t;9-;;;;;;;;/m.1......../s1.
What are the key properties of N-ethyl-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N,2-dimethylpropanamide;N-ethyl-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methylpropanamide;(2R)-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen?
N-ethyl-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N,2-dimethylpropanamide;N-ethyl-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methylpropanamide;(2R)-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen has a molecular weight of 1109.24 g/mol, XLogP of 10.02, 15 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N,2-dimethylpropanamide;N-ethyl-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methylpropanamide;(2R)-2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;molecular hydrogen is sourced from PubChem (CID 159993690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).