N-[4-[3-amino-6-[1-(methanesulfonamido)-2-methylpropan-2-yl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-[3-amino-1-methyl-6-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2-methyl-2-phenylpropanamide

C88H103N19O5S — CID 159085334

About N-[4-[3-amino-6-[1-(methanesulfonamido)-2-methylpropan-2-yl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-[3-amino-1-methyl-6-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2-methyl-2-phenylpropanamide

N-[4-[3-amino-6-[1-(methanesulfonamido)-2-methylpropan-2-yl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-[3-amino-1-methyl-6-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2-methyl-2-phenylpropanamide (PubChem CID 159085334) has the molecular formula C88H103N19O5S and a molecular weight of 1538.99 g/mol. Its IUPAC name is N-[4-[3-amino-6-[1-(methanesulfonamido)-2-methylpropan-2-yl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-[3-amino-1-methyl-6-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2-methyl-2-phenylpropanamide.

Molecular Properties

• Compound Name: N-[4-[3-amino-6-[1-(methanesulfonamido)-2-methylpropan-2-yl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-[3-amino-1-methyl-6-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2-methyl-2-phenylpropanamide
• PubChem CID: 159085334
• Molecular Formula: C88H103N19O5S
• Molecular Weight: 1538.99 g/mol
• Exact Mass: 1537.81
• IUPAC Name: N-[4-[3-amino-6-[1-(methanesulfonamido)-2-methylpropan-2-yl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-[3-amino-1-methyl-6-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2-methyl-2-phenylpropanamide
• SMILES: CC(C)(C(=O)Nc1ccc(-c2ccnc3c2c(N)nn3CCN2CCCC2)cc1)c1ccccc1.CN1CCN(CC(C)(C)c2cc(-c3ccc(NC(=O)C4(c5ccccc5)CC4)cc3)c3c(N)nn(C)c3n2)CC1.Cn1nc(N)c2c(-c3ccc(NC(=O)C4(c5ccccc5)CC4)cc3)cc(C(C)(C)CNS(C)(=O)=O)nc21
• InChI: InChI=1S/C32H39N7O.C28H32N6O3S.C28H32N6O/c1-31(2,21-39-18-16-37(3)17-19-39)26-20-25(27-28(33)36-38(4)29(27)35-26)22-10-12-24(13-11-22)34-30(40)32(14-15-32)23-8-6-5-7-9-23;1-27(2,17-30-38(4,36)37)22-16-21(23-24(29)33-34(3)25(23)32-22)18-10-12-20(13-11-18)31-26(35)28(14-15-28)19-8-6-5-7-9-19;1-28(2,21-8-4-3-5-9-21)27(35)31-22-12-10-20(11-13-22)23-14-15-30-26-24(23)25(29)32-34(26)19-18-33-16-6-7-17-33/h5-13,20H,14-19,21H2,1-4H3,(H2,33,36)(H,34,40);5-13,16,30H,14-15,17H2,1-4H3,(H2,29,33)(H,31,35);3-5,8-15H,6-7,16-19H2,1-2H3,(H2,29,32)(H,31,35)
• InChIKey: KBJLZJVILGJPHO-UHFFFAOYSA-N
• XLogP: 12.82
• TPSA: 313.38 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 22
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1538.99
LogP ≤ 5	12.82
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-amino-6-[1-(methanesulfonamido)-2-methylpropan-2-yl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-[3-amino-1-methyl-6-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2-methyl-2-phenylpropanamide?

The IUPAC name of N-[4-[3-amino-6-[1-(methanesulfonamido)-2-methylpropan-2-yl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-[3-amino-1-methyl-6-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2-methyl-2-phenylpropanamide (CID 159085334) is N-[4-[3-amino-6-[1-(methanesulfonamido)-2-methylpropan-2-yl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-[3-amino-1-methyl-6-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2-methyl-2-phenylpropanamide.

What is the SMILES notation for N-[4-[3-amino-6-[1-(methanesulfonamido)-2-methylpropan-2-yl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-[3-amino-1-methyl-6-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2-methyl-2-phenylpropanamide?

The canonical SMILES for N-[4-[3-amino-6-[1-(methanesulfonamido)-2-methylpropan-2-yl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-[3-amino-1-methyl-6-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2-methyl-2-phenylpropanamide is CC(C)(C(=O)Nc1ccc(-c2ccnc3c2c(N)nn3CCN2CCCC2)cc1)c1ccccc1.CN1CCN(CC(C)(C)c2cc(-c3ccc(NC(=O)C4(c5ccccc5)CC4)cc3)c3c(N)nn(C)c3n2)CC1.Cn1nc(N)c2c(-c3ccc(NC(=O)C4(c5ccccc5)CC4)cc3)cc(C(C)(C)CNS(C)(=O)=O)nc21.

What is the InChIKey of N-[4-[3-amino-6-[1-(methanesulfonamido)-2-methylpropan-2-yl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-[3-amino-1-methyl-6-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2-methyl-2-phenylpropanamide?

The InChIKey is KBJLZJVILGJPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N7O.C28H32N6O3S.C28H32N6O/c1-31(2,21-39-18-16-37(3)17-19-39)26-20-25(27-28(33)36-38(4)29(27)35-26)22-10-12-24(13-11-22)34-30(40)32(14-15-32)23-8-6-5-7-9-23;1-27(2,17-30-38(4,36)37)22-16-21(23-24(29)33-34(3)25(23)32-22)18-10-12-20(13-11-18)31-26(35)28(14-15-28)19-8-6-5-7-9-19;1-28(2,21-8-4-3-5-9-21)27(35)31-22-12-10-20(11-13-22)23-14-15-30-26-24(23)25(29)32-34(26)19-18-33-16-6-7-17-33/h5-13,20H,14-19,21H2,1-4H3,(H2,33,36)(H,34,40);5-13,16,30H,14-15,17H2,1-4H3,(H2,29,33)(H,31,35);3-5,8-15H,6-7,16-19H2,1-2H3,(H2,29,32)(H,31,35).

What are the key properties of N-[4-[3-amino-6-[1-(methanesulfonamido)-2-methylpropan-2-yl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-[3-amino-1-methyl-6-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2-methyl-2-phenylpropanamide?

N-[4-[3-amino-6-[1-(methanesulfonamido)-2-methylpropan-2-yl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-[3-amino-1-methyl-6-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2-methyl-2-phenylpropanamide has a molecular weight of 1538.99 g/mol, XLogP of 12.82, 22 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-amino-6-[1-(methanesulfonamido)-2-methylpropan-2-yl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-[3-amino-1-methyl-6-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-1-phenylcyclopropane-1-carboxamide;N-[4-[3-amino-1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 159085334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).