6-amino-1,3-diphenyl-4-pyridin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile

C24H17N5O — CID 19334606

About 6-amino-1,3-diphenyl-4-pyridin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile

6-amino-1,3-diphenyl-4-pyridin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile (PubChem CID 19334606) has the molecular formula C24H17N5O and a molecular weight of 391.43 g/mol. Its IUPAC name is 6-amino-1,3-diphenyl-4-pyridin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.

Molecular Properties

• Compound Name: 6-amino-1,3-diphenyl-4-pyridin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
• PubChem CID: 19334606
• Molecular Formula: C24H17N5O
• Molecular Weight: 391.43 g/mol
• Exact Mass: 391.14
• IUPAC Name: 6-amino-1,3-diphenyl-4-pyridin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
• SMILES: N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)C1c1ccncc1
• InChI: InChI=1S/C24H17N5O/c25-15-19-20(16-11-13-27-14-12-16)21-22(17-7-3-1-4-8-17)28-29(24(21)30-23(19)26)18-9-5-2-6-10-18/h1-14,20H,26H2
• InChIKey: HJUOFZZTGNFFSW-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 89.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.43
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dhp_amino_CN_B(9)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-diphenyl-4-pyridin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?

The IUPAC name of 6-amino-1,3-diphenyl-4-pyridin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile (CID 19334606) is 6-amino-1,3-diphenyl-4-pyridin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.

What is the SMILES notation for 6-amino-1,3-diphenyl-4-pyridin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?

The canonical SMILES for 6-amino-1,3-diphenyl-4-pyridin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile is N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)C1c1ccncc1.

What is the InChIKey of 6-amino-1,3-diphenyl-4-pyridin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?

The InChIKey is HJUOFZZTGNFFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O/c25-15-19-20(16-11-13-27-14-12-16)21-22(17-7-3-1-4-8-17)28-29(24(21)30-23(19)26)18-9-5-2-6-10-18/h1-14,20H,26H2.

What are the key properties of 6-amino-1,3-diphenyl-4-pyridin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile?

6-amino-1,3-diphenyl-4-pyridin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile has a molecular weight of 391.43 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-1,3-diphenyl-4-pyridin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile is sourced from PubChem (CID 19334606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).