2-amino-N-[1-(5-cyano-3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]-5-fluoropyridine-4-carboxamide;2-amino-5-fluoropyridine-4-carboxylic acid;4-(4-aminopiperidin-1-yl)-3-methyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;methane

C41H46F2N14O3 — CID 157230947

About 2-amino-N-[1-(5-cyano-3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]-5-fluoropyridine-4-carboxamide;2-amino-5-fluoropyridine-4-carboxylic acid;4-(4-aminopiperidin-1-yl)-3-methyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;methane

2-amino-N-[1-(5-cyano-3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]-5-fluoropyridine-4-carboxamide;2-amino-5-fluoropyridine-4-carboxylic acid;4-(4-aminopiperidin-1-yl)-3-methyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;methane (PubChem CID 157230947) has the molecular formula C41H46F2N14O3 and a molecular weight of 820.91 g/mol. Its IUPAC name is 2-amino-N-[1-(5-cyano-3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]-5-fluoropyridine-4-carboxamide;2-amino-5-fluoropyridine-4-carboxylic acid;4-(4-aminopiperidin-1-yl)-3-methyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;methane.

Molecular Properties

• Compound Name: 2-amino-N-[1-(5-cyano-3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]-5-fluoropyridine-4-carboxamide;2-amino-5-fluoropyridine-4-carboxylic acid;4-(4-aminopiperidin-1-yl)-3-methyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;methane
• PubChem CID: 157230947
• Molecular Formula: C41H46F2N14O3
• Molecular Weight: 820.91 g/mol
• Exact Mass: 820.38
• IUPAC Name: 2-amino-N-[1-(5-cyano-3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]-5-fluoropyridine-4-carboxamide;2-amino-5-fluoropyridine-4-carboxylic acid;4-(4-aminopiperidin-1-yl)-3-methyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;methane
• SMILES: C.Cc1c[nH]c2ncc(C#N)c(N3CCC(N)CC3)c12.Cc1c[nH]c2ncc(C#N)c(N3CCC(NC(=O)c4cc(N)ncc4F)CC3)c12.Nc1cc(C(=O)O)c(F)cn1
• InChI: InChI=1S/C20H20FN7O.C14H17N5.C6H5FN2O2.CH4/c1-11-8-25-19-17(11)18(12(7-22)9-26-19)28-4-2-13(3-5-28)27-20(29)14-6-16(23)24-10-15(14)21;1-9-7-17-14-12(9)13(10(6-15)8-18-14)19-4-2-11(16)3-5-19;7-4-2-9-5(8)1-3(4)6(10)11;/h6,8-10,13H,2-5H2,1H3,(H2,23,24)(H,25,26)(H,27,29);7-8,11H,2-5,16H2,1H3,(H,17,18);1-2H,(H2,8,9)(H,10,11);1H4
• InChIKey: AUCAVURVANKWMY-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 281.66 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 13
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	820.91
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(5-cyano-3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]-5-fluoropyridine-4-carboxamide;2-amino-5-fluoropyridine-4-carboxylic acid;4-(4-aminopiperidin-1-yl)-3-methyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;methane?

The IUPAC name of 2-amino-N-[1-(5-cyano-3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]-5-fluoropyridine-4-carboxamide;2-amino-5-fluoropyridine-4-carboxylic acid;4-(4-aminopiperidin-1-yl)-3-methyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;methane (CID 157230947) is 2-amino-N-[1-(5-cyano-3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]-5-fluoropyridine-4-carboxamide;2-amino-5-fluoropyridine-4-carboxylic acid;4-(4-aminopiperidin-1-yl)-3-methyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;methane.

What is the SMILES notation for 2-amino-N-[1-(5-cyano-3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]-5-fluoropyridine-4-carboxamide;2-amino-5-fluoropyridine-4-carboxylic acid;4-(4-aminopiperidin-1-yl)-3-methyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;methane?

The canonical SMILES for 2-amino-N-[1-(5-cyano-3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]-5-fluoropyridine-4-carboxamide;2-amino-5-fluoropyridine-4-carboxylic acid;4-(4-aminopiperidin-1-yl)-3-methyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;methane is C.Cc1c[nH]c2ncc(C#N)c(N3CCC(N)CC3)c12.Cc1c[nH]c2ncc(C#N)c(N3CCC(NC(=O)c4cc(N)ncc4F)CC3)c12.Nc1cc(C(=O)O)c(F)cn1.

What is the InChIKey of 2-amino-N-[1-(5-cyano-3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]-5-fluoropyridine-4-carboxamide;2-amino-5-fluoropyridine-4-carboxylic acid;4-(4-aminopiperidin-1-yl)-3-methyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;methane?

The InChIKey is AUCAVURVANKWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O.C14H17N5.C6H5FN2O2.CH4/c1-11-8-25-19-17(11)18(12(7-22)9-26-19)28-4-2-13(3-5-28)27-20(29)14-6-16(23)24-10-15(14)21;1-9-7-17-14-12(9)13(10(6-15)8-18-14)19-4-2-11(16)3-5-19;7-4-2-9-5(8)1-3(4)6(10)11;/h6,8-10,13H,2-5H2,1H3,(H2,23,24)(H,25,26)(H,27,29);7-8,11H,2-5,16H2,1H3,(H,17,18);1-2H,(H2,8,9)(H,10,11);1H4.

What are the key properties of 2-amino-N-[1-(5-cyano-3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]-5-fluoropyridine-4-carboxamide;2-amino-5-fluoropyridine-4-carboxylic acid;4-(4-aminopiperidin-1-yl)-3-methyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;methane?

2-amino-N-[1-(5-cyano-3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]-5-fluoropyridine-4-carboxamide;2-amino-5-fluoropyridine-4-carboxylic acid;4-(4-aminopiperidin-1-yl)-3-methyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;methane has a molecular weight of 820.91 g/mol, XLogP of 5.07, 5 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[1-(5-cyano-3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-yl]-5-fluoropyridine-4-carboxamide;2-amino-5-fluoropyridine-4-carboxylic acid;4-(4-aminopiperidin-1-yl)-3-methyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile;methane is sourced from PubChem (CID 157230947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).