N-[4-[3-amino-6-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;N-[4-[3-amino-6-cyclopropyl-1-[3-(dimethylamino)propyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;N-[4-(3-amino-6-cyclopropyl-1-propylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide

C75H83N17O6S3 — CID 158432643

About N-[4-[3-amino-6-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;N-[4-[3-amino-6-cyclopropyl-1-[3-(dimethylamino)propyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;N-[4-(3-amino-6-cyclopropyl-1-propylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide

N-[4-[3-amino-6-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;N-[4-[3-amino-6-cyclopropyl-1-[3-(dimethylamino)propyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;N-[4-(3-amino-6-cyclopropyl-1-propylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide (PubChem CID 158432643) has the molecular formula C75H83N17O6S3 and a molecular weight of 1414.80 g/mol. Its IUPAC name is N-[4-[3-amino-6-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;N-[4-[3-amino-6-cyclopropyl-1-[3-(dimethylamino)propyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;N-[4-(3-amino-6-cyclopropyl-1-propylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

• Compound Name: N-[4-[3-amino-6-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;N-[4-[3-amino-6-cyclopropyl-1-[3-(dimethylamino)propyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;N-[4-(3-amino-6-cyclopropyl-1-propylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide
• PubChem CID: 158432643
• Molecular Formula: C75H83N17O6S3
• Molecular Weight: 1414.80 g/mol
• Exact Mass: 1413.59
• IUPAC Name: N-[4-[3-amino-6-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;N-[4-[3-amino-6-cyclopropyl-1-[3-(dimethylamino)propyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;N-[4-(3-amino-6-cyclopropyl-1-propylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide
• SMILES: CCCn1nc(N)c2c(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc(C3CC3)nc21.CN(C)CCCn1nc(N)c2c(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc(C3CC3)nc21.CN(C)CCn1nc(N)c2c(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc(C3CC3)nc21
• InChI: InChI=1S/C26H30N6O2S.C25H28N6O2S.C24H25N5O2S/c1-31(2)15-6-16-32-26-24(25(27)29-32)22(17-23(28-26)19-9-10-19)18-11-13-20(14-12-18)30-35(33,34)21-7-4-3-5-8-21;1-30(2)14-15-31-25-23(24(26)28-31)21(16-22(27-25)18-8-9-18)17-10-12-19(13-11-17)29-34(32,33)20-6-4-3-5-7-20;1-2-14-29-24-22(23(25)27-29)20(15-21(26-24)17-8-9-17)16-10-12-18(13-11-16)28-32(30,31)19-6-4-3-5-7-19/h3-5,7-8,11-14,17,19,30H,6,9-10,15-16H2,1-2H3,(H2,27,29);3-7,10-13,16,18,29H,8-9,14-15H2,1-2H3,(H2,26,28);3-7,10-13,15,17,28H,2,8-9,14H2,1H3,(H2,25,27)
• InChIKey: HBVPXDNUKUXOBI-UHFFFAOYSA-N
• XLogP: 13.00
• TPSA: 315.18 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 24
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1414.80
LogP ≤ 5	13.00
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-amino-6-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;N-[4-[3-amino-6-cyclopropyl-1-[3-(dimethylamino)propyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;N-[4-(3-amino-6-cyclopropyl-1-propylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide?

The IUPAC name of N-[4-[3-amino-6-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;N-[4-[3-amino-6-cyclopropyl-1-[3-(dimethylamino)propyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;N-[4-(3-amino-6-cyclopropyl-1-propylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide (CID 158432643) is N-[4-[3-amino-6-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;N-[4-[3-amino-6-cyclopropyl-1-[3-(dimethylamino)propyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;N-[4-(3-amino-6-cyclopropyl-1-propylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide.

What is the SMILES notation for N-[4-[3-amino-6-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;N-[4-[3-amino-6-cyclopropyl-1-[3-(dimethylamino)propyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;N-[4-(3-amino-6-cyclopropyl-1-propylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide?

The canonical SMILES for N-[4-[3-amino-6-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;N-[4-[3-amino-6-cyclopropyl-1-[3-(dimethylamino)propyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;N-[4-(3-amino-6-cyclopropyl-1-propylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide is CCCn1nc(N)c2c(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc(C3CC3)nc21.CN(C)CCCn1nc(N)c2c(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc(C3CC3)nc21.CN(C)CCn1nc(N)c2c(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc(C3CC3)nc21.

What is the InChIKey of N-[4-[3-amino-6-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;N-[4-[3-amino-6-cyclopropyl-1-[3-(dimethylamino)propyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;N-[4-(3-amino-6-cyclopropyl-1-propylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide?

The InChIKey is HBVPXDNUKUXOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2S.C25H28N6O2S.C24H25N5O2S/c1-31(2)15-6-16-32-26-24(25(27)29-32)22(17-23(28-26)19-9-10-19)18-11-13-20(14-12-18)30-35(33,34)21-7-4-3-5-8-21;1-30(2)14-15-31-25-23(24(26)28-31)21(16-22(27-25)18-8-9-18)17-10-12-19(13-11-17)29-34(32,33)20-6-4-3-5-7-20;1-2-14-29-24-22(23(25)27-29)20(15-21(26-24)17-8-9-17)16-10-12-18(13-11-16)28-32(30,31)19-6-4-3-5-7-19/h3-5,7-8,11-14,17,19,30H,6,9-10,15-16H2,1-2H3,(H2,27,29);3-7,10-13,16,18,29H,8-9,14-15H2,1-2H3,(H2,26,28);3-7,10-13,15,17,28H,2,8-9,14H2,1H3,(H2,25,27).

What are the key properties of N-[4-[3-amino-6-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;N-[4-[3-amino-6-cyclopropyl-1-[3-(dimethylamino)propyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;N-[4-(3-amino-6-cyclopropyl-1-propylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide?

N-[4-[3-amino-6-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;N-[4-[3-amino-6-cyclopropyl-1-[3-(dimethylamino)propyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;N-[4-(3-amino-6-cyclopropyl-1-propylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide has a molecular weight of 1414.80 g/mol, XLogP of 13.00, 24 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-amino-6-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;N-[4-[3-amino-6-cyclopropyl-1-[3-(dimethylamino)propyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide;N-[4-(3-amino-6-cyclopropyl-1-propylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 158432643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).