N,3-dimethyl-5-(1-methylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;5-(5-ethyl-1-methylpyrazol-3-yl)-N,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine;5-(5-ethyl-1-methylpyrazol-3-yl)-3-methyl-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-amine;2-methyl-2-[4-[4-(methylamino)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]propanenitrile;N-methyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;3-methyl-5-(1-methylpyrazol-3-yl)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-amine

C94H112F6N32 — CID 163562102

About N,3-dimethyl-5-(1-methylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;5-(5-ethyl-1-methylpyrazol-3-yl)-N,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine;5-(5-ethyl-1-methylpyrazol-3-yl)-3-methyl-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-amine;2-methyl-2-[4-[4-(methylamino)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]propanenitrile;N-methyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;3-methyl-5-(1-methylpyrazol-3-yl)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-amine

N,3-dimethyl-5-(1-methylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;5-(5-ethyl-1-methylpyrazol-3-yl)-N,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine;5-(5-ethyl-1-methylpyrazol-3-yl)-3-methyl-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-amine;2-methyl-2-[4-[4-(methylamino)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]propanenitrile;N-methyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;3-methyl-5-(1-methylpyrazol-3-yl)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 163562102) has the molecular formula C94H112F6N32 and a molecular weight of 1804.14 g/mol. Its IUPAC name is N,3-dimethyl-5-(1-methylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;5-(5-ethyl-1-methylpyrazol-3-yl)-N,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine;5-(5-ethyl-1-methylpyrazol-3-yl)-3-methyl-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-amine;2-methyl-2-[4-[4-(methylamino)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]propanenitrile;N-methyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;3-methyl-5-(1-methylpyrazol-3-yl)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

• Compound Name: N,3-dimethyl-5-(1-methylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;5-(5-ethyl-1-methylpyrazol-3-yl)-N,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine;5-(5-ethyl-1-methylpyrazol-3-yl)-3-methyl-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-amine;2-methyl-2-[4-[4-(methylamino)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]propanenitrile;N-methyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;3-methyl-5-(1-methylpyrazol-3-yl)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-amine
• PubChem CID: 163562102
• Molecular Formula: C94H112F6N32
• Molecular Weight: 1804.14 g/mol
• Exact Mass: 1802.97
• IUPAC Name: N,3-dimethyl-5-(1-methylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;5-(5-ethyl-1-methylpyrazol-3-yl)-N,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine;5-(5-ethyl-1-methylpyrazol-3-yl)-3-methyl-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-amine;2-methyl-2-[4-[4-(methylamino)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]propanenitrile;N-methyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;3-methyl-5-(1-methylpyrazol-3-yl)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-amine
• SMILES: CCc1cc(-c2cnc3[nH]cc(C)c3c2NC(C)C)nn1C.CCc1cc(-c2cnc3[nH]cc(C)c3c2NC)nn1C.CNc1c(-c2ccn(C)n2)cnc2[nH]cc(C)c12.CNc1c(C(F)(F)F)cnc2[nH]cc(-c3cnn(C(C)(C)C#N)c3)c12.CNc1c(C(F)(F)F)cnc2[nH]cc(-c3cnn(C4CCN(C)CC4)c3)c12.Cc1c[nH]c2ncc(-c3ccn(C)n3)c(NC(C)C)c12
• InChI: InChI=1S/C18H21F3N6.C17H23N5.C16H15F3N6.2C15H19N5.C13H15N5/c1-22-16-14(18(19,20)21)9-24-17-15(16)13(8-23-17)11-7-25-27(10-11)12-3-5-26(2)6-4-12;1-6-12-7-14(21-22(12)5)13-9-19-17-15(11(4)8-18-17)16(13)20-10(2)3;1-15(2,8-20)25-7-9(4-24-25)10-5-22-14-12(10)13(21-3)11(6-23-14)16(17,18)19;1-9(2)18-14-11(12-5-6-20(4)19-12)8-17-15-13(14)10(3)7-16-15;1-5-10-6-12(19-20(10)4)11-8-18-15-13(14(11)16-3)9(2)7-17-15;1-8-6-15-13-11(8)12(14-2)9(7-16-13)10-4-5-18(3)17-10/h7-10,12H,3-6H2,1-2H3,(H2,22,23,24);7-10H,6H2,1-5H3,(H2,18,19,20);4-7H,1-3H3,(H2,21,22,23);5-9H,1-4H3,(H2,16,17,18);6-8H,5H2,1-4H3,(H2,16,17,18);4-7H,1-3H3,(H2,14,15,16)
• InChIKey: FSCDJAHSGCKAFD-UHFFFAOYSA-N
• XLogP: 19.44
• TPSA: 378.21 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1804.14
LogP ≤ 5	19.44
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-5-(1-methylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;5-(5-ethyl-1-methylpyrazol-3-yl)-N,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine;5-(5-ethyl-1-methylpyrazol-3-yl)-3-methyl-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-amine;2-methyl-2-[4-[4-(methylamino)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]propanenitrile;N-methyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;3-methyl-5-(1-methylpyrazol-3-yl)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-amine?

The IUPAC name of N,3-dimethyl-5-(1-methylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;5-(5-ethyl-1-methylpyrazol-3-yl)-N,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine;5-(5-ethyl-1-methylpyrazol-3-yl)-3-methyl-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-amine;2-methyl-2-[4-[4-(methylamino)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]propanenitrile;N-methyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;3-methyl-5-(1-methylpyrazol-3-yl)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 163562102) is N,3-dimethyl-5-(1-methylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;5-(5-ethyl-1-methylpyrazol-3-yl)-N,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine;5-(5-ethyl-1-methylpyrazol-3-yl)-3-methyl-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-amine;2-methyl-2-[4-[4-(methylamino)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]propanenitrile;N-methyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;3-methyl-5-(1-methylpyrazol-3-yl)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-amine.

What is the SMILES notation for N,3-dimethyl-5-(1-methylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;5-(5-ethyl-1-methylpyrazol-3-yl)-N,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine;5-(5-ethyl-1-methylpyrazol-3-yl)-3-methyl-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-amine;2-methyl-2-[4-[4-(methylamino)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]propanenitrile;N-methyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;3-methyl-5-(1-methylpyrazol-3-yl)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-amine?

The canonical SMILES for N,3-dimethyl-5-(1-methylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;5-(5-ethyl-1-methylpyrazol-3-yl)-N,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine;5-(5-ethyl-1-methylpyrazol-3-yl)-3-methyl-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-amine;2-methyl-2-[4-[4-(methylamino)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]propanenitrile;N-methyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;3-methyl-5-(1-methylpyrazol-3-yl)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-amine is CCc1cc(-c2cnc3[nH]cc(C)c3c2NC(C)C)nn1C.CCc1cc(-c2cnc3[nH]cc(C)c3c2NC)nn1C.CNc1c(-c2ccn(C)n2)cnc2[nH]cc(C)c12.CNc1c(C(F)(F)F)cnc2[nH]cc(-c3cnn(C(C)(C)C#N)c3)c12.CNc1c(C(F)(F)F)cnc2[nH]cc(-c3cnn(C4CCN(C)CC4)c3)c12.Cc1c[nH]c2ncc(-c3ccn(C)n3)c(NC(C)C)c12.

What is the InChIKey of N,3-dimethyl-5-(1-methylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;5-(5-ethyl-1-methylpyrazol-3-yl)-N,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine;5-(5-ethyl-1-methylpyrazol-3-yl)-3-methyl-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-amine;2-methyl-2-[4-[4-(methylamino)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]propanenitrile;N-methyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;3-methyl-5-(1-methylpyrazol-3-yl)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-amine?

The InChIKey is FSCDJAHSGCKAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N6.C17H23N5.C16H15F3N6.2C15H19N5.C13H15N5/c1-22-16-14(18(19,20)21)9-24-17-15(16)13(8-23-17)11-7-25-27(10-11)12-3-5-26(2)6-4-12;1-6-12-7-14(21-22(12)5)13-9-19-17-15(11(4)8-18-17)16(13)20-10(2)3;1-15(2,8-20)25-7-9(4-24-25)10-5-22-14-12(10)13(21-3)11(6-23-14)16(17,18)19;1-9(2)18-14-11(12-5-6-20(4)19-12)8-17-15-13(14)10(3)7-16-15;1-5-10-6-12(19-20(10)4)11-8-18-15-13(14(11)16-3)9(2)7-17-15;1-8-6-15-13-11(8)12(14-2)9(7-16-13)10-4-5-18(3)17-10/h7-10,12H,3-6H2,1-2H3,(H2,22,23,24);7-10H,6H2,1-5H3,(H2,18,19,20);4-7H,1-3H3,(H2,21,22,23);5-9H,1-4H3,(H2,16,17,18);6-8H,5H2,1-4H3,(H2,16,17,18);4-7H,1-3H3,(H2,14,15,16).

What are the key properties of N,3-dimethyl-5-(1-methylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;5-(5-ethyl-1-methylpyrazol-3-yl)-N,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine;5-(5-ethyl-1-methylpyrazol-3-yl)-3-methyl-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-amine;2-methyl-2-[4-[4-(methylamino)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]propanenitrile;N-methyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;3-methyl-5-(1-methylpyrazol-3-yl)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-amine?

N,3-dimethyl-5-(1-methylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;5-(5-ethyl-1-methylpyrazol-3-yl)-N,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine;5-(5-ethyl-1-methylpyrazol-3-yl)-3-methyl-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-amine;2-methyl-2-[4-[4-(methylamino)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]propanenitrile;N-methyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;3-methyl-5-(1-methylpyrazol-3-yl)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 1804.14 g/mol, XLogP of 19.44, 18 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N,3-dimethyl-5-(1-methylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine;5-(5-ethyl-1-methylpyrazol-3-yl)-N,3-dimethyl-1H-pyrrolo[2,3-b]pyridin-4-amine;5-(5-ethyl-1-methylpyrazol-3-yl)-3-methyl-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-amine;2-methyl-2-[4-[4-(methylamino)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]propanenitrile;N-methyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;3-methyl-5-(1-methylpyrazol-3-yl)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 163562102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).