(2R)-2-[[2-(5-chloro-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;molecular hydrogen

C73H85Cl4F15N24O4 — CID 160593037

About (2R)-2-[[2-(5-chloro-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;molecular hydrogen

(2R)-2-[[2-(5-chloro-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;molecular hydrogen (PubChem CID 160593037) has the molecular formula C73H85Cl4F15N24O4 and a molecular weight of 1789.43 g/mol. Its IUPAC name is (2R)-2-[[2-(5-chloro-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;molecular hydrogen.

Molecular Properties

• Compound Name: (2R)-2-[[2-(5-chloro-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;molecular hydrogen
• PubChem CID: 160593037
• Molecular Formula: C73H85Cl4F15N24O4
• Molecular Weight: 1789.43 g/mol
• Exact Mass: 1786.57
• IUPAC Name: (2R)-2-[[2-(5-chloro-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;molecular hydrogen
• SMILES: CC(C)C[C@@H](Nc1nc(-c2c[nH]c3ncc(Cl)cc23)ncc1F)C(=O)NCC(F)(F)F.CC(C)C[C@@H](Nc1nc(-c2cn(C)c3ncc(Cl)cc23)ncc1F)C(=O)NCC(F)(F)F.CCC(Nc1nc(-c2c[nH]c3ncc(Cl)cc23)ncc1F)C(=O)NCC(F)(F)F.CC[C@@H](Nc1ccnc(-c2c[nH]c3ncc(Cl)cc23)n1)C(=O)NCC(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C20H21ClF4N6O.C19H19ClF4N6O.C17H15ClF4N6O.C17H16ClF3N6O.7H2/c1-10(2)4-15(19(32)28-9-20(23,24)25)29-17-14(22)7-26-16(30-17)13-8-31(3)18-12(13)5-11(21)6-27-18;1-9(2)3-14(18(31)28-8-19(22,23)24)29-17-13(21)7-27-16(30-17)12-6-26-15-11(12)4-10(20)5-25-15;1-2-12(16(29)26-7-17(20,21)22)27-15-11(19)6-25-14(28-15)10-5-24-13-9(10)3-8(18)4-23-13;1-2-12(16(28)25-8-17(19,20)21)26-13-3-4-22-15(27-13)11-7-24-14-10(11)5-9(18)6-23-14;;;;;;;/h5-8,10,15H,4,9H2,1-3H3,(H,28,32)(H,26,29,30);4-7,9,14H,3,8H2,1-2H3,(H,25,26)(H,28,31)(H,27,29,30);3-6,12H,2,7H2,1H3,(H,23,24)(H,26,29)(H,25,27,28);3-7,12H,2,8H2,1H3,(H,23,24)(H,25,28)(H,22,26,27);7*1H/t15-;14-;;12-;;;;;;;/m11.1......./s1
• InChIKey: RDGUBLUHMCJZIQ-WLCPXFRPSA-N
• XLogP: 17.59
• TPSA: 371.50 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 21
• Rotatable Bonds: 26
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1789.43
LogP ≤ 5	17.59
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(5-chloro-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;molecular hydrogen?

The IUPAC name of (2R)-2-[[2-(5-chloro-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;molecular hydrogen (CID 160593037) is (2R)-2-[[2-(5-chloro-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;molecular hydrogen.

What is the SMILES notation for (2R)-2-[[2-(5-chloro-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;molecular hydrogen?

The canonical SMILES for (2R)-2-[[2-(5-chloro-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;molecular hydrogen is CC(C)C[C@@H](Nc1nc(-c2c[nH]c3ncc(Cl)cc23)ncc1F)C(=O)NCC(F)(F)F.CC(C)C[C@@H](Nc1nc(-c2cn(C)c3ncc(Cl)cc23)ncc1F)C(=O)NCC(F)(F)F.CCC(Nc1nc(-c2c[nH]c3ncc(Cl)cc23)ncc1F)C(=O)NCC(F)(F)F.CC[C@@H](Nc1ccnc(-c2c[nH]c3ncc(Cl)cc23)n1)C(=O)NCC(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of (2R)-2-[[2-(5-chloro-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;molecular hydrogen?

The InChIKey is RDGUBLUHMCJZIQ-WLCPXFRPSA-N. The full InChI is InChI=1S/C20H21ClF4N6O.C19H19ClF4N6O.C17H15ClF4N6O.C17H16ClF3N6O.7H2/c1-10(2)4-15(19(32)28-9-20(23,24)25)29-17-14(22)7-26-16(30-17)13-8-31(3)18-12(13)5-11(21)6-27-18;1-9(2)3-14(18(31)28-8-19(22,23)24)29-17-13(21)7-27-16(30-17)12-6-26-15-11(12)4-10(20)5-25-15;1-2-12(16(29)26-7-17(20,21)22)27-15-11(19)6-25-14(28-15)10-5-24-13-9(10)3-8(18)4-23-13;1-2-12(16(28)25-8-17(19,20)21)26-13-3-4-22-15(27-13)11-7-24-14-10(11)5-9(18)6-23-14;;;;;;;/h5-8,10,15H,4,9H2,1-3H3,(H,28,32)(H,26,29,30);4-7,9,14H,3,8H2,1-2H3,(H,25,26)(H,28,31)(H,27,29,30);3-6,12H,2,7H2,1H3,(H,23,24)(H,26,29)(H,25,27,28);3-7,12H,2,8H2,1H3,(H,23,24)(H,25,28)(H,22,26,27);7*1H/t15-;14-;;12-;;;;;;;/m11.1......./s1.

What are the key properties of (2R)-2-[[2-(5-chloro-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;molecular hydrogen?

(2R)-2-[[2-(5-chloro-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;molecular hydrogen has a molecular weight of 1789.43 g/mol, XLogP of 17.59, 26 rotatable bonds, 11 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[2-(5-chloro-1-methylpyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;molecular hydrogen is sourced from PubChem (CID 160593037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).