2,6-difluoro-N-[5-[6-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C90H85F6N27O8S — CID 157136654

About 2,6-difluoro-N-[5-[6-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

2,6-difluoro-N-[5-[6-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 157136654) has the molecular formula C90H85F6N27O8S and a molecular weight of 1818.91 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[6-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2,6-difluoro-N-[5-[6-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 157136654
• Molecular Formula: C90H85F6N27O8S
• Molecular Weight: 1818.91 g/mol
• Exact Mass: 1817.67
• IUPAC Name: 2,6-difluoro-N-[5-[6-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: CC1CCN(Cc2ccc3nc(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)[nH]c3c2)CC1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCNCC3)cc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cnn2ccccc12.O=C(Nc1cn[nH]c1-c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)c1c(F)cccc1F
• InChI: InChI=1S/C24H24F2N6O.C23H22N8O2.C22H21F2N7O.C21H18F2N6O4S/c1-14-7-9-32(10-8-14)13-15-5-6-18-19(11-15)29-23(28-18)22-20(12-27-31-22)30-24(33)21-16(25)3-2-4-17(21)26;32-23(16-12-25-31-6-2-1-3-20(16)31)28-19-13-24-29-21(19)22-26-17-5-4-15(11-18(17)27-22)14-30-7-9-33-10-8-30;23-14-2-1-3-15(24)19(14)22(32)29-18-11-26-30-20(18)21-27-16-5-4-13(10-17(16)28-21)12-31-8-6-25-7-9-31;22-13-2-1-3-14(23)18(13)21(30)27-17-11-24-28-19(17)20-25-15-5-4-12(10-16(15)26-20)34(31,32)29-6-8-33-9-7-29/h2-6,11-12,14H,7-10,13H2,1H3,(H,27,31)(H,28,29)(H,30,33);1-6,11-13H,7-10,14H2,(H,24,29)(H,26,27)(H,28,32);1-5,10-11,25H,6-9,12H2,(H,26,30)(H,27,28)(H,29,32);1-5,10-11H,6-9H2,(H,24,28)(H,25,26)(H,27,30)
• InChIKey: AJRXRFNJGZWTRU-UHFFFAOYSA-N
• XLogP: 12.79
• TPSA: 440.73 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1818.91
LogP ≤ 5	12.79
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-[6-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 2,6-difluoro-N-[5-[6-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 157136654) is 2,6-difluoro-N-[5-[6-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 2,6-difluoro-N-[5-[6-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 2,6-difluoro-N-[5-[6-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is CC1CCN(Cc2ccc3nc(-c4[nH]ncc4NC(=O)c4c(F)cccc4F)[nH]c3c2)CC1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCNCC3)cc2[nH]1)c1c(F)cccc1F.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cnn2ccccc12.O=C(Nc1cn[nH]c1-c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)c1c(F)cccc1F.

What is the InChIKey of 2,6-difluoro-N-[5-[6-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is AJRXRFNJGZWTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N6O.C23H22N8O2.C22H21F2N7O.C21H18F2N6O4S/c1-14-7-9-32(10-8-14)13-15-5-6-18-19(11-15)29-23(28-18)22-20(12-27-31-22)30-24(33)21-16(25)3-2-4-17(21)26;32-23(16-12-25-31-6-2-1-3-20(16)31)28-19-13-24-29-21(19)22-26-17-5-4-15(11-18(17)27-22)14-30-7-9-33-10-8-30;23-14-2-1-3-15(24)19(14)22(32)29-18-11-26-30-20(18)21-27-16-5-4-13(10-17(16)28-21)12-31-8-6-25-7-9-31;22-13-2-1-3-14(23)18(13)21(30)27-17-11-24-28-19(17)20-25-15-5-4-12(10-16(15)26-20)34(31,32)29-6-8-33-9-7-29/h2-6,11-12,14H,7-10,13H2,1H3,(H,27,31)(H,28,29)(H,30,33);1-6,11-13H,7-10,14H2,(H,24,29)(H,26,27)(H,28,32);1-5,10-11,25H,6-9,12H2,(H,26,30)(H,27,28)(H,29,32);1-5,10-11H,6-9H2,(H,24,28)(H,25,26)(H,27,30).

What are the key properties of 2,6-difluoro-N-[5-[6-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

2,6-difluoro-N-[5-[6-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 1818.91 g/mol, XLogP of 12.79, 20 rotatable bonds, 13 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-N-[5-[6-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 157136654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).