4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-cyanoethyl)-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-cyanoethyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(cyclobutylmethyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-methylpropyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;molecular hydrogen

C90H108Cl5F12N27O5 — CID 159999357

About 4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-cyanoethyl)-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-cyanoethyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(cyclobutylmethyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-methylpropyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;molecular hydrogen

4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-cyanoethyl)-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-cyanoethyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(cyclobutylmethyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-methylpropyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;molecular hydrogen (PubChem CID 159999357) has the molecular formula C90H108Cl5F12N27O5 and a molecular weight of 2053.28 g/mol. Its IUPAC name is 4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-cyanoethyl)-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-cyanoethyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(cyclobutylmethyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-methylpropyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-cyanoethyl)-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-cyanoethyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(cyclobutylmethyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-methylpropyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;molecular hydrogen
• PubChem CID: 159999357
• Molecular Formula: C90H108Cl5F12N27O5
• Molecular Weight: 2053.28 g/mol
• Exact Mass: 2049.73
• IUPAC Name: 4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-cyanoethyl)-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-cyanoethyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(cyclobutylmethyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-methylpropyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;molecular hydrogen
• SMILES: CC(C)CN(CCC#N)C(=O)c1cc(-c2ncnc3[nH]cc(Cl)c23)c[nH]1.CC(C)CN(CCC(F)(F)F)C(=O)c1cc(-c2ncnc3[nH]cc(Cl)c23)c[nH]1.N#CCCN(CCC(F)(F)F)C(=O)c1cc(-c2ncnc3[nH]cc(Cl)c23)c[nH]1.O=C(c1cc(-c2ncnc3[nH]cc(Cl)c23)c[nH]1)N(CC1CCC1)CC(F)(F)F.O=C(c1cc(-c2ncnc3[nH]cc(Cl)c23)c[nH]1)N(CCC(F)(F)F)CC1CCC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C19H19ClF3N5O.C18H17ClF3N5O.C18H19ClF3N5O.C18H19ClN6O.C17H14ClF3N6O.10H2/c20-13-8-25-17-15(13)16(26-10-27-17)12-6-14(24-7-12)18(29)28(5-4-19(21,22)23)9-11-2-1-3-11;19-12-6-24-16-14(12)15(25-9-26-16)11-4-13(23-5-11)17(28)27(8-18(20,21)22)7-10-2-1-3-10;1-10(2)8-27(4-3-18(20,21)22)17(28)13-5-11(6-23-13)15-14-12(19)7-24-16(14)26-9-25-15;1-11(2)9-25(5-3-4-20)18(26)14-6-12(7-21-14)16-15-13(19)8-22-17(15)24-10-23-16;18-11-8-24-15-13(11)14(25-9-26-15)10-6-12(23-7-10)16(28)27(4-1-3-22)5-2-17(19,20)21;;;;;;;;;;/h6-8,10-11,24H,1-5,9H2,(H,25,26,27);4-6,9-10,23H,1-3,7-8H2,(H,24,25,26);5-7,9-10,23H,3-4,8H2,1-2H3,(H,24,25,26);6-8,10-11,21H,3,5,9H2,1-2H3,(H,22,23,24);6-9,23H,1-2,4-5H2,(H,24,25,26);10*1H
• InChIKey: OHYUNQZHERNQQF-UHFFFAOYSA-N
• XLogP: 23.86
• TPSA: 435.93 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 17
• Rotatable Bonds: 29
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2053.28
LogP ≤ 5	23.86
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-cyanoethyl)-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-cyanoethyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(cyclobutylmethyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-methylpropyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;molecular hydrogen?

The IUPAC name of 4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-cyanoethyl)-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-cyanoethyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(cyclobutylmethyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-methylpropyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;molecular hydrogen (CID 159999357) is 4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-cyanoethyl)-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-cyanoethyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(cyclobutylmethyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-methylpropyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;molecular hydrogen.

What is the SMILES notation for 4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-cyanoethyl)-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-cyanoethyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(cyclobutylmethyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-methylpropyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;molecular hydrogen?

The canonical SMILES for 4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-cyanoethyl)-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-cyanoethyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(cyclobutylmethyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-methylpropyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;molecular hydrogen is CC(C)CN(CCC#N)C(=O)c1cc(-c2ncnc3[nH]cc(Cl)c23)c[nH]1.CC(C)CN(CCC(F)(F)F)C(=O)c1cc(-c2ncnc3[nH]cc(Cl)c23)c[nH]1.N#CCCN(CCC(F)(F)F)C(=O)c1cc(-c2ncnc3[nH]cc(Cl)c23)c[nH]1.O=C(c1cc(-c2ncnc3[nH]cc(Cl)c23)c[nH]1)N(CC1CCC1)CC(F)(F)F.O=C(c1cc(-c2ncnc3[nH]cc(Cl)c23)c[nH]1)N(CCC(F)(F)F)CC1CCC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-cyanoethyl)-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-cyanoethyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(cyclobutylmethyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-methylpropyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;molecular hydrogen?

The InChIKey is OHYUNQZHERNQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N5O.C18H17ClF3N5O.C18H19ClF3N5O.C18H19ClN6O.C17H14ClF3N6O.10H2/c20-13-8-25-17-15(13)16(26-10-27-17)12-6-14(24-7-12)18(29)28(5-4-19(21,22)23)9-11-2-1-3-11;19-12-6-24-16-14(12)15(25-9-26-16)11-4-13(23-5-11)17(28)27(8-18(20,21)22)7-10-2-1-3-10;1-10(2)8-27(4-3-18(20,21)22)17(28)13-5-11(6-23-13)15-14-12(19)7-24-16(14)26-9-25-15;1-11(2)9-25(5-3-4-20)18(26)14-6-12(7-21-14)16-15-13(19)8-22-17(15)24-10-23-16;18-11-8-24-15-13(11)14(25-9-26-15)10-6-12(23-7-10)16(28)27(4-1-3-22)5-2-17(19,20)21;;;;;;;;;;/h6-8,10-11,24H,1-5,9H2,(H,25,26,27);4-6,9-10,23H,1-3,7-8H2,(H,24,25,26);5-7,9-10,23H,3-4,8H2,1-2H3,(H,24,25,26);6-8,10-11,21H,3,5,9H2,1-2H3,(H,22,23,24);6-9,23H,1-2,4-5H2,(H,24,25,26);10*1H.

What are the key properties of 4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-cyanoethyl)-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-cyanoethyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(cyclobutylmethyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-methylpropyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;molecular hydrogen?

4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-cyanoethyl)-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-cyanoethyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(cyclobutylmethyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-methylpropyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;molecular hydrogen has a molecular weight of 2053.28 g/mol, XLogP of 23.86, 29 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-cyanoethyl)-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-cyanoethyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(cyclobutylmethyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;4-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(2-methylpropyl)-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 159999357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).