N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-3-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-3-methylnaphthalene-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]quinoline-2-carboxamide

C83H72N20O6 — CID 157271329

About N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-3-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-3-methylnaphthalene-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]quinoline-2-carboxamide

N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-3-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-3-methylnaphthalene-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]quinoline-2-carboxamide (PubChem CID 157271329) has the molecular formula C83H72N20O6 and a molecular weight of 1445.62 g/mol. Its IUPAC name is N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-3-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-3-methylnaphthalene-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]quinoline-2-carboxamide.

Molecular Properties

• Compound Name: N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-3-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-3-methylnaphthalene-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]quinoline-2-carboxamide
• PubChem CID: 157271329
• Molecular Formula: C83H72N20O6
• Molecular Weight: 1445.62 g/mol
• Exact Mass: 1444.59
• IUPAC Name: N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-3-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-3-methylnaphthalene-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]quinoline-2-carboxamide
• SMILES: Cc1cc2ccccc2cc1C(=O)NCc1ccc(-c2nn(C3C=CC(O)C3)c3ncnc(N)c23)cc1.Nc1ncnc2c1c(-c1ccc(CNC(=O)c3cc4ccccc4cn3)cc1)nn2C1C=CC(O)C1.Nc1ncnc2c1c(-c1ccc(CNC(=O)c3ccc4ccccc4n3)cc1)nn2C1C=CC(O)C1
• InChI: InChI=1S/C29H26N6O2.2C27H23N7O2/c1-17-12-20-4-2-3-5-21(20)13-24(17)29(37)31-15-18-6-8-19(9-7-18)26-25-27(30)32-16-33-28(25)35(34-26)22-10-11-23(36)14-22;28-25-23-24(33-34(26(23)31-15-30-25)19-10-11-20(35)13-19)18-7-5-16(6-8-18)14-29-27(36)22-12-9-17-3-1-2-4-21(17)32-22;28-25-23-24(33-34(26(23)32-15-31-25)20-9-10-21(35)12-20)17-7-5-16(6-8-17)13-30-27(36)22-11-18-3-1-2-4-19(18)14-29-22/h2-13,16,22-23,36H,14-15H2,1H3,(H,31,37)(H2,30,32,33);1-12,15,19-20,35H,13-14H2,(H,29,36)(H2,28,30,31);1-11,14-15,20-21,35H,12-13H2,(H,30,36)(H2,28,31,32)
• InChIKey: AYONXUKZCPSIAL-UHFFFAOYSA-N
• XLogP: 11.16
• TPSA: 382.63 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1445.62
LogP ≤ 5	11.16
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-3-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-3-methylnaphthalene-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]quinoline-2-carboxamide?

The IUPAC name of N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-3-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-3-methylnaphthalene-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]quinoline-2-carboxamide (CID 157271329) is N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-3-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-3-methylnaphthalene-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]quinoline-2-carboxamide.

What is the SMILES notation for N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-3-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-3-methylnaphthalene-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]quinoline-2-carboxamide?

The canonical SMILES for N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-3-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-3-methylnaphthalene-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]quinoline-2-carboxamide is Cc1cc2ccccc2cc1C(=O)NCc1ccc(-c2nn(C3C=CC(O)C3)c3ncnc(N)c23)cc1.Nc1ncnc2c1c(-c1ccc(CNC(=O)c3cc4ccccc4cn3)cc1)nn2C1C=CC(O)C1.Nc1ncnc2c1c(-c1ccc(CNC(=O)c3ccc4ccccc4n3)cc1)nn2C1C=CC(O)C1.

What is the InChIKey of N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-3-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-3-methylnaphthalene-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]quinoline-2-carboxamide?

The InChIKey is AYONXUKZCPSIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O2.2C27H23N7O2/c1-17-12-20-4-2-3-5-21(20)13-24(17)29(37)31-15-18-6-8-19(9-7-18)26-25-27(30)32-16-33-28(25)35(34-26)22-10-11-23(36)14-22;28-25-23-24(33-34(26(23)31-15-30-25)19-10-11-20(35)13-19)18-7-5-16(6-8-18)14-29-27(36)22-12-9-17-3-1-2-4-21(17)32-22;28-25-23-24(33-34(26(23)32-15-31-25)20-9-10-21(35)12-20)17-7-5-16(6-8-17)13-30-27(36)22-11-18-3-1-2-4-19(18)14-29-22/h2-13,16,22-23,36H,14-15H2,1H3,(H,31,37)(H2,30,32,33);1-12,15,19-20,35H,13-14H2,(H,29,36)(H2,28,30,31);1-11,14-15,20-21,35H,12-13H2,(H,30,36)(H2,28,31,32).

What are the key properties of N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-3-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-3-methylnaphthalene-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]quinoline-2-carboxamide?

N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-3-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-3-methylnaphthalene-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]quinoline-2-carboxamide has a molecular weight of 1445.62 g/mol, XLogP of 11.16, 15 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-3-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-3-methylnaphthalene-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 157271329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).