N-(2-fluoroethyl)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2-methylpropanamide;(2R)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;1-[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-N-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)quinazolin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide

C86H83F16N35O5 — CID 158442841

IUPACN-(2-fluoroethyl)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2-methylpropanamide;(2R)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;1-[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-N-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)quinazolin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)(Nc1nc(-c2c[nH]c3ncncc23)nc2ccccc12)C(=O)NCC(F)(F)F.CC(C)(Nc1nc(-c2c[nH]c3ncncc23)ncc1F)C(=O)NCCF.CC1(C(=O)NCC(F)(F)F)CCCN1c1nc(-c2c[nH]c3ncncc23)ncc1F.C[C@@H](Nc1ccnc(-c2c[nH]c3ncncc23)n1)C(=O)N(C)CC(F)(F)F.C[C@@H](Nc1nc(-c2c[nH]c3ncncc23)ncc1F)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C20H18F3N7O.C18H17F4N7O.C16H15F4N7O.C16H16F3N7O.C16H17F2N7O/c1-19(2,18(31)26-9-20(21,22)23)30-17-11-5-3-4-6-14(11)28-16(29-17)13-8-25-15-12(13)7-24-10-27-15;1-17(16(30)26-8-18(20,21)22)3-2-4-29(17)15-12(19)7-25-14(28-15)11-6-24-13-10(11)5-23-9-27-13;1-8(15(28)27(2)6-16(18,19)20)25-14-11(17)5-23-13(26-14)10-4-22-12-9(10)3-21-7-24-12;1-9(15(27)26(2)7-16(17,18)19)24-12-3-4-21-14(25-12)11-6-22-13-10(11)5-20-8-23-13;1-16(2,15(26)20-4-3-17)25-14-11(18)7-22-13(24-14)10-6-21-12-9(10)5-19-8-23-12/h3-8,10H,9H2,1-2H3,(H,26,31)(H,24,25,27)(H,28,29,30);5-7,9H,2-4,8H2,1H3,(H,26,30)(H,23,24,27);3-5,7-8H,6H2,1-2H3,(H,21,22,24)(H,23,25,26);3-6,8-9H,7H2,1-2H3,(H,20,22,23)(H,21,24,25);5-8H,3-4H2,1-2H3,(H,20,26)(H,19,21,23)(H,22,24,25)/t;;8-;9-;/m..11./s1
InChIKeyHDAHZCQOKKTELP-UFLKGXILSA-N
MW1990.82 g/mol
LogP12.47
Rot. Bonds25

About N-(2-fluoroethyl)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2-methylpropanamide;(2R)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;1-[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-N-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)quinazolin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide

N-(2-fluoroethyl)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2-methylpropanamide;(2R)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;1-[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-N-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)quinazolin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 158442841) has the molecular formula C86H83F16N35O5 and a molecular weight of 1990.82 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2-methylpropanamide;(2R)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;1-[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-N-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)quinazolin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2-methylpropanamide;(2R)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;1-[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-N-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)quinazolin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID158442841
Molecular FormulaC86H83F16N35O5
Molecular Weight1990.82 g/mol
Exact Mass1989.71
IUPAC NameN-(2-fluoroethyl)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2-methylpropanamide;(2R)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;1-[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-N-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)quinazolin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)(Nc1nc(-c2c[nH]c3ncncc23)nc2ccccc12)C(=O)NCC(F)(F)F.CC(C)(Nc1nc(-c2c[nH]c3ncncc23)ncc1F)C(=O)NCCF.CC1(C(=O)NCC(F)(F)F)CCCN1c1nc(-c2c[nH]c3ncncc23)ncc1F.C[C@@H](Nc1ccnc(-c2c[nH]c3ncncc23)n1)C(=O)N(C)CC(F)(F)F.C[C@@H](Nc1nc(-c2c[nH]c3ncncc23)ncc1F)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C20H18F3N7O.C18H17F4N7O.C16H15F4N7O.C16H16F3N7O.C16H17F2N7O/c1-19(2,18(31)26-9-20(21,22)23)30-17-11-5-3-4-6-14(11)28-16(29-17)13-8-25-15-12(13)7-24-10-27-15;1-17(16(30)26-8-18(20,21)22)3-2-4-29(17)15-12(19)7-25-14(28-15)11-6-24-13-10(11)5-23-9-27-13;1-8(15(28)27(2)6-16(18,19)20)25-14-11(17)5-23-13(26-14)10-4-22-12-9(10)3-21-7-24-12;1-9(15(27)26(2)7-16(17,18)19)24-12-3-4-21-14(25-12)11-6-22-13-10(11)5-20-8-23-13;1-16(2,15(26)20-4-3-17)25-14-11(18)7-22-13(24-14)10-6-21-12-9(10)5-19-8-23-12/h3-8,10H,9H2,1-2H3,(H,26,31)(H,24,25,27)(H,28,29,30);5-7,9H,2-4,8H2,1H3,(H,26,30)(H,23,24,27);3-5,7-8H,6H2,1-2H3,(H,21,22,24)(H,23,25,26);3-6,8-9H,7H2,1-2H3,(H,20,22,23)(H,21,24,25);5-8H,3-4H2,1-2H3,(H,20,26)(H,19,21,23)(H,22,24,25)/t;;8-;9-;/m..11./s1
InChIKeyHDAHZCQOKKTELP-UFLKGXILSA-N
XLogP12.47
TPSA516.03 Ų
H-Bond Donors12
H-Bond Acceptors30
Rotatable Bonds25
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001990.82
LogP ≤ 512.47
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1030

Analyze N-(2-fluoroethyl)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2-methylpropanamide;(2R)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;1-[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-N-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)quinazolin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide with MolForge

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Related Compounds

2-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)quinazolin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 16116825
(2S)-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)quinazolin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 16117744
(2R)-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)quinazolin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 16117745
2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)quinazolin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 58896892
(2S)-2-[[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)quinazolin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 58897013
(2R)-2-[[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)quinazolin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 58897030
2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 59422120
2-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 59422276
(2R)-2-[[2-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 70826858
2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-2-[[2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]acetyl]-pyridin-3-ylamino]-N-methyl-N-phenylacetamide
CID 87278395
2,3-bis[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-N-methyl-N-phenyl-N'-pyridin-3-ylbutanediamide
CID 87278396
1-[1-[[9-ethyl-2-(5-fluoroindol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]-4-[[[1-[[2-(1H-indol-3-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]-methylamino]methyl]pyrrolidin-2-one
CID 90775981

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2-methylpropanamide;(2R)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;1-[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-N-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)quinazolin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-(2-fluoroethyl)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2-methylpropanamide;(2R)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;1-[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-N-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)quinazolin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 158442841) is N-(2-fluoroethyl)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2-methylpropanamide;(2R)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;1-[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-N-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)quinazolin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-(2-fluoroethyl)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2-methylpropanamide;(2R)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;1-[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-N-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)quinazolin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-(2-fluoroethyl)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2-methylpropanamide;(2R)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;1-[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-N-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)quinazolin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide is CC(C)(Nc1nc(-c2c[nH]c3ncncc23)nc2ccccc12)C(=O)NCC(F)(F)F.CC(C)(Nc1nc(-c2c[nH]c3ncncc23)ncc1F)C(=O)NCCF.CC1(C(=O)NCC(F)(F)F)CCCN1c1nc(-c2c[nH]c3ncncc23)ncc1F.C[C@@H](Nc1ccnc(-c2c[nH]c3ncncc23)n1)C(=O)N(C)CC(F)(F)F.C[C@@H](Nc1nc(-c2c[nH]c3ncncc23)ncc1F)C(=O)N(C)CC(F)(F)F.
What is the InChIKey of N-(2-fluoroethyl)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2-methylpropanamide;(2R)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;1-[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-N-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)quinazolin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is HDAHZCQOKKTELP-UFLKGXILSA-N. The full InChI is InChI=1S/C20H18F3N7O.C18H17F4N7O.C16H15F4N7O.C16H16F3N7O.C16H17F2N7O/c1-19(2,18(31)26-9-20(21,22)23)30-17-11-5-3-4-6-14(11)28-16(29-17)13-8-25-15-12(13)7-24-10-27-15;1-17(16(30)26-8-18(20,21)22)3-2-4-29(17)15-12(19)7-25-14(28-15)11-6-24-13-10(11)5-23-9-27-13;1-8(15(28)27(2)6-16(18,19)20)25-14-11(17)5-23-13(26-14)10-4-22-12-9(10)3-21-7-24-12;1-9(15(27)26(2)7-16(17,18)19)24-12-3-4-21-14(25-12)11-6-22-13-10(11)5-20-8-23-13;1-16(2,15(26)20-4-3-17)25-14-11(18)7-22-13(24-14)10-6-21-12-9(10)5-19-8-23-12/h3-8,10H,9H2,1-2H3,(H,26,31)(H,24,25,27)(H,28,29,30);5-7,9H,2-4,8H2,1H3,(H,26,30)(H,23,24,27);3-5,7-8H,6H2,1-2H3,(H,21,22,24)(H,23,25,26);3-6,8-9H,7H2,1-2H3,(H,20,22,23)(H,21,24,25);5-8H,3-4H2,1-2H3,(H,20,26)(H,19,21,23)(H,22,24,25)/t;;8-;9-;/m..11./s1.
What are the key properties of N-(2-fluoroethyl)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2-methylpropanamide;(2R)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;1-[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-N-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)quinazolin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
N-(2-fluoroethyl)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2-methylpropanamide;(2R)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;1-[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-N-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)quinazolin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 1990.82 g/mol, XLogP of 12.47, 25 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2-methylpropanamide;(2R)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)propanamide;1-[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-N-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;2-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)quinazolin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 158442841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).