1-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;4-methyl-N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperazine-1-carboxamide

C146H118F4N32O5 — CID 157132612

About 1-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;4-methyl-N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperazine-1-carboxamide

1-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;4-methyl-N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperazine-1-carboxamide (PubChem CID 157132612) has the molecular formula C146H118F4N32O5 and a molecular weight of 2476.76 g/mol. Its IUPAC name is 1-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;4-methyl-N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: 1-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;4-methyl-N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperazine-1-carboxamide
• PubChem CID: 157132612
• Molecular Formula: C146H118F4N32O5
• Molecular Weight: 2476.76 g/mol
• Exact Mass: 2474.99
• IUPAC Name: 1-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;4-methyl-N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperazine-1-carboxamide
• SMILES: CC(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccc(F)cc6)cccc5[nH]4)c3c2)c1.CC(C)CC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccc(F)cc6)cccc5[nH]4)c3c2)c1.CCC(=O)Cc1ccc(-c2cnc3n[nH]c(-c4cc5c(-c6ccc(F)cc6)cccc5[nH]4)c3c2)cn1.CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccc(F)cc6)cccc5[nH]4)c3c2)c1.CN1CCN(C(=O)Nc2cncc(-c3cnc4n[nH]c(-c5cc6c(-c7cccnc7)cccc6[nH]5)c4c3)c2)CC1
• InChI: InChI=1S/C30H25FN6O.C30H27N9O.C29H23FN6O.C29H22FN5O.C28H21FN6O/c1-17(2)10-28(38)34-22-11-19(14-32-16-22)20-12-25-29(36-37-30(25)33-15-20)27-13-24-23(4-3-5-26(24)35-27)18-6-8-21(31)9-7-18;1-38-8-10-39(11-9-38)30(40)34-22-12-20(16-32-18-22)21-13-25-28(36-37-29(25)33-17-21)27-14-24-23(5-2-6-26(24)35-27)19-4-3-7-31-15-19;1-16(2)29(37)33-21-10-18(13-31-15-21)19-11-24-27(35-36-28(24)32-14-19)26-12-23-22(4-3-5-25(23)34-26)17-6-8-20(30)9-7-17;1-2-22(36)13-21-11-8-18(15-31-21)19-12-25-28(34-35-29(25)32-16-19)27-14-24-23(4-3-5-26(24)33-27)17-6-9-20(30)10-7-17;1-2-26(36)32-20-10-17(13-30-15-20)18-11-23-27(34-35-28(23)31-14-18)25-12-22-21(4-3-5-24(22)33-25)16-6-8-19(29)9-7-16/h3-9,11-17,35H,10H2,1-2H3,(H,34,38)(H,33,36,37);2-7,12-18,35H,8-11H2,1H3,(H,34,40)(H,33,36,37);3-16,34H,1-2H3,(H,33,37)(H,32,35,36);3-12,14-16,33H,2,13H2,1H3,(H,32,34,35);3-15,33H,2H2,1H3,(H,32,36)(H,31,34,35)
• InChIKey: AJGCUYOIJZBIGG-UHFFFAOYSA-N
• XLogP: 31.36
• TPSA: 504.09 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 22
• Rotatable Bonds: 26
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2476.76
LogP ≤ 5	31.36
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;4-methyl-N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperazine-1-carboxamide?

The IUPAC name of 1-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;4-methyl-N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperazine-1-carboxamide (CID 157132612) is 1-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;4-methyl-N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperazine-1-carboxamide.

What is the SMILES notation for 1-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;4-methyl-N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperazine-1-carboxamide?

The canonical SMILES for 1-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;4-methyl-N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperazine-1-carboxamide is CC(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccc(F)cc6)cccc5[nH]4)c3c2)c1.CC(C)CC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccc(F)cc6)cccc5[nH]4)c3c2)c1.CCC(=O)Cc1ccc(-c2cnc3n[nH]c(-c4cc5c(-c6ccc(F)cc6)cccc5[nH]4)c3c2)cn1.CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6ccc(F)cc6)cccc5[nH]4)c3c2)c1.CN1CCN(C(=O)Nc2cncc(-c3cnc4n[nH]c(-c5cc6c(-c7cccnc7)cccc6[nH]5)c4c3)c2)CC1.

What is the InChIKey of 1-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;4-methyl-N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperazine-1-carboxamide?

The InChIKey is AJGCUYOIJZBIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN6O.C30H27N9O.C29H23FN6O.C29H22FN5O.C28H21FN6O/c1-17(2)10-28(38)34-22-11-19(14-32-16-22)20-12-25-29(36-37-30(25)33-15-20)27-13-24-23(4-3-5-26(24)35-27)18-6-8-21(31)9-7-18;1-38-8-10-39(11-9-38)30(40)34-22-12-20(16-32-18-22)21-13-25-28(36-37-29(25)33-17-21)27-14-24-23(5-2-6-26(24)35-27)19-4-3-7-31-15-19;1-16(2)29(37)33-21-10-18(13-31-15-21)19-11-24-27(35-36-28(24)32-14-19)26-12-23-22(4-3-5-25(23)34-26)17-6-8-20(30)9-7-17;1-2-22(36)13-21-11-8-18(15-31-21)19-12-25-28(34-35-29(25)32-16-19)27-14-24-23(4-3-5-26(24)33-27)17-6-9-20(30)10-7-17;1-2-26(36)32-20-10-17(13-30-15-20)18-11-23-27(34-35-28(23)31-14-18)25-12-22-21(4-3-5-24(22)33-25)16-6-8-19(29)9-7-16/h3-9,11-17,35H,10H2,1-2H3,(H,34,38)(H,33,36,37);2-7,12-18,35H,8-11H2,1H3,(H,34,40)(H,33,36,37);3-16,34H,1-2H3,(H,33,37)(H,32,35,36);3-12,14-16,33H,2,13H2,1H3,(H,32,34,35);3-15,33H,2H2,1H3,(H,32,36)(H,31,34,35).

What are the key properties of 1-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;4-methyl-N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperazine-1-carboxamide?

1-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;4-methyl-N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperazine-1-carboxamide has a molecular weight of 2476.76 g/mol, XLogP of 31.36, 26 rotatable bonds, 14 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;4-methyl-N-[5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 157132612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).