6-amino-4-[3-[6-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]hexoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C34H34N8O4 — CID 139234738

About 6-amino-4-[3-[6-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]hexoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-[3-[6-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]hexoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 139234738) has the molecular formula C34H34N8O4 and a molecular weight of 618.70 g/mol. Its IUPAC name is 6-amino-4-[3-[6-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]hexoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

• Compound Name: 6-amino-4-[3-[6-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]hexoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
• PubChem CID: 139234738
• Molecular Formula: C34H34N8O4
• Molecular Weight: 618.70 g/mol
• Exact Mass: 618.27
• IUPAC Name: 6-amino-4-[3-[6-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]hexoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
• SMILES: Cc1[nH]nc2c1C(c1cccc(OCCCCCCOc3cccc(C4C(C#N)=C(N)Oc5n[nH]c(C)c54)c3)c1)C(C#N)=C(N)O2
• InChI: InChI=1S/C34H34N8O4/c1-19-27-29(25(17-35)31(37)45-33(27)41-39-19)21-9-7-11-23(15-21)43-13-5-3-4-6-14-44-24-12-8-10-22(16-24)30-26(18-36)32(38)46-34-28(30)20(2)40-42-34/h7-12,15-16,29-30H,3-6,13-14,37-38H2,1-2H3,(H,39,41)(H,40,42)
• InChIKey: RCNSYWOJZYXFRL-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 193.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.70
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[3-[6-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]hexoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?

The IUPAC name of 6-amino-4-[3-[6-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]hexoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 139234738) is 6-amino-4-[3-[6-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]hexoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

What is the SMILES notation for 6-amino-4-[3-[6-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]hexoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?

The canonical SMILES for 6-amino-4-[3-[6-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]hexoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is Cc1[nH]nc2c1C(c1cccc(OCCCCCCOc3cccc(C4C(C#N)=C(N)Oc5n[nH]c(C)c54)c3)c1)C(C#N)=C(N)O2.

What is the InChIKey of 6-amino-4-[3-[6-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]hexoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?

The InChIKey is RCNSYWOJZYXFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N8O4/c1-19-27-29(25(17-35)31(37)45-33(27)41-39-19)21-9-7-11-23(15-21)43-13-5-3-4-6-14-44-24-12-8-10-22(16-24)30-26(18-36)32(38)46-34-28(30)20(2)40-42-34/h7-12,15-16,29-30H,3-6,13-14,37-38H2,1-2H3,(H,39,41)(H,40,42).

What are the key properties of 6-amino-4-[3-[6-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]hexoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?

6-amino-4-[3-[6-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]hexoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 618.70 g/mol, XLogP of 5.20, 11 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-4-[3-[6-[3-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]hexoxy]phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 139234738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).