4-(3-cyanophenyl)-3-cyclopropyloxy-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-cyclopropyloxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-ethoxy-2-fluoro-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;5-ethoxy-2-fluoro-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-ethoxy-4-(3-fluorophenyl)-N-[[4-(1-hydroxyethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide

C124H114F7N21O14 — CID 167531868

About 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-cyclopropyloxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-ethoxy-2-fluoro-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;5-ethoxy-2-fluoro-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-ethoxy-4-(3-fluorophenyl)-N-[[4-(1-hydroxyethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide

4-(3-cyanophenyl)-3-cyclopropyloxy-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-cyclopropyloxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-ethoxy-2-fluoro-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;5-ethoxy-2-fluoro-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-ethoxy-4-(3-fluorophenyl)-N-[[4-(1-hydroxyethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide (PubChem CID 167531868) has the molecular formula C124H114F7N21O14 and a molecular weight of 2255.39 g/mol. Its IUPAC name is 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-cyclopropyloxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-ethoxy-2-fluoro-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;5-ethoxy-2-fluoro-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-ethoxy-4-(3-fluorophenyl)-N-[[4-(1-hydroxyethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide.

Molecular Properties

• Compound Name: 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-cyclopropyloxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-ethoxy-2-fluoro-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;5-ethoxy-2-fluoro-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-ethoxy-4-(3-fluorophenyl)-N-[[4-(1-hydroxyethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide
• PubChem CID: 167531868
• Molecular Formula: C124H114F7N21O14
• Molecular Weight: 2255.39 g/mol
• Exact Mass: 2253.87
• IUPAC Name: 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-cyclopropyloxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-ethoxy-2-fluoro-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;5-ethoxy-2-fluoro-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-ethoxy-4-(3-fluorophenyl)-N-[[4-(1-hydroxyethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide
• SMILES: CCOc1c(-c2cccc(F)c2)ccc(C(=O)N(C)Cc2cnc(CF)c3cn[nH]c23)c1F.CCOc1cc(C(=O)N(C)Cc2cnc(C(C)O)c3cn[nH]c23)ccc1-c1cccc(F)c1.CCOc1cc(C(=O)N(C)Cc2cnc(CO)c3cn[nH]c23)c(F)cc1-c1cccc(F)c1.CN(Cc1cnc(CO)c2cn[nH]c12)C(=O)c1ccc(-c2cccc(C#N)c2)c(OC2CC2)c1.CN(Cc1cnc(CO)c2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC2CC2)c1
• InChI: InChI=1S/C26H23N5O3.C25H23FN4O3.C25H25FN4O3.C24H21F3N4O2.C24H22F2N4O3/c1-31(14-19-12-28-23(15-32)22-13-29-30-25(19)22)26(33)18-5-8-21(24(10-18)34-20-6-7-20)17-4-2-3-16(9-17)11-27;1-30(13-17-11-27-22(14-31)21-12-28-29-24(17)21)25(32)16-5-8-20(15-3-2-4-18(26)9-15)23(10-16)33-19-6-7-19;1-4-33-22-11-17(8-9-20(22)16-6-5-7-19(26)10-16)25(32)30(3)14-18-12-27-23(15(2)31)21-13-28-29-24(18)21;1-3-33-23-17(14-5-4-6-16(26)9-14)7-8-18(21(23)27)24(32)31(2)13-15-11-28-20(10-25)19-12-29-30-22(15)19;1-3-33-22-9-18(20(26)8-17(22)14-5-4-6-16(25)7-14)24(32)30(2)12-15-10-27-21(13-31)19-11-28-29-23(15)19/h2-5,8-10,12-13,20,32H,6-7,14-15H2,1H3,(H,29,30);2-5,8-12,19,31H,6-7,13-14H2,1H3,(H,28,29);5-13,15,31H,4,14H2,1-3H3,(H,28,29);4-9,11-12H,3,10,13H2,1-2H3,(H,29,30);4-11,31H,3,12-13H2,1-2H3,(H,28,29)
• InChIKey: ABRFAVWJMKLRTF-UHFFFAOYSA-N
• XLogP: 21.47
• TPSA: 460.26 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 35
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2255.39
LogP ≤ 5	21.47
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-cyclopropyloxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-ethoxy-2-fluoro-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;5-ethoxy-2-fluoro-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-ethoxy-4-(3-fluorophenyl)-N-[[4-(1-hydroxyethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide?

The IUPAC name of 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-cyclopropyloxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-ethoxy-2-fluoro-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;5-ethoxy-2-fluoro-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-ethoxy-4-(3-fluorophenyl)-N-[[4-(1-hydroxyethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide (CID 167531868) is 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-cyclopropyloxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-ethoxy-2-fluoro-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;5-ethoxy-2-fluoro-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-ethoxy-4-(3-fluorophenyl)-N-[[4-(1-hydroxyethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide.

What is the SMILES notation for 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-cyclopropyloxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-ethoxy-2-fluoro-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;5-ethoxy-2-fluoro-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-ethoxy-4-(3-fluorophenyl)-N-[[4-(1-hydroxyethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide?

The canonical SMILES for 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-cyclopropyloxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-ethoxy-2-fluoro-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;5-ethoxy-2-fluoro-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-ethoxy-4-(3-fluorophenyl)-N-[[4-(1-hydroxyethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide is CCOc1c(-c2cccc(F)c2)ccc(C(=O)N(C)Cc2cnc(CF)c3cn[nH]c23)c1F.CCOc1cc(C(=O)N(C)Cc2cnc(C(C)O)c3cn[nH]c23)ccc1-c1cccc(F)c1.CCOc1cc(C(=O)N(C)Cc2cnc(CO)c3cn[nH]c23)c(F)cc1-c1cccc(F)c1.CN(Cc1cnc(CO)c2cn[nH]c12)C(=O)c1ccc(-c2cccc(C#N)c2)c(OC2CC2)c1.CN(Cc1cnc(CO)c2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC2CC2)c1.

What is the InChIKey of 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-cyclopropyloxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-ethoxy-2-fluoro-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;5-ethoxy-2-fluoro-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-ethoxy-4-(3-fluorophenyl)-N-[[4-(1-hydroxyethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide?

The InChIKey is ABRFAVWJMKLRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3.C25H23FN4O3.C25H25FN4O3.C24H21F3N4O2.C24H22F2N4O3/c1-31(14-19-12-28-23(15-32)22-13-29-30-25(19)22)26(33)18-5-8-21(24(10-18)34-20-6-7-20)17-4-2-3-16(9-17)11-27;1-30(13-17-11-27-22(14-31)21-12-28-29-24(17)21)25(32)16-5-8-20(15-3-2-4-18(26)9-15)23(10-16)33-19-6-7-19;1-4-33-22-11-17(8-9-20(22)16-6-5-7-19(26)10-16)25(32)30(3)14-18-12-27-23(15(2)31)21-13-28-29-24(18)21;1-3-33-23-17(14-5-4-6-16(26)9-14)7-8-18(21(23)27)24(32)31(2)13-15-11-28-20(10-25)19-12-29-30-22(15)19;1-3-33-22-9-18(20(26)8-17(22)14-5-4-6-16(25)7-14)24(32)30(2)12-15-10-27-21(13-31)19-11-28-29-23(15)19/h2-5,8-10,12-13,20,32H,6-7,14-15H2,1H3,(H,29,30);2-5,8-12,19,31H,6-7,13-14H2,1H3,(H,28,29);5-13,15,31H,4,14H2,1-3H3,(H,28,29);4-9,11-12H,3,10,13H2,1-2H3,(H,29,30);4-11,31H,3,12-13H2,1-2H3,(H,28,29).

What are the key properties of 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-cyclopropyloxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-ethoxy-2-fluoro-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;5-ethoxy-2-fluoro-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-ethoxy-4-(3-fluorophenyl)-N-[[4-(1-hydroxyethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide?

4-(3-cyanophenyl)-3-cyclopropyloxy-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-cyclopropyloxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-ethoxy-2-fluoro-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;5-ethoxy-2-fluoro-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-ethoxy-4-(3-fluorophenyl)-N-[[4-(1-hydroxyethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide has a molecular weight of 2255.39 g/mol, XLogP of 21.47, 35 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-cyanophenyl)-3-cyclopropyloxy-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-cyclopropyloxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-ethoxy-2-fluoro-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;5-ethoxy-2-fluoro-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-ethoxy-4-(3-fluorophenyl)-N-[[4-(1-hydroxyethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 167531868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).