6-amino-4-[1-[(2-chlorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C23H18ClN5O — CID 3996432

About 6-amino-4-[1-[(2-chlorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-[1-[(2-chlorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 3996432) has the molecular formula C23H18ClN5O and a molecular weight of 415.88 g/mol. Its IUPAC name is 6-amino-4-[1-[(2-chlorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

• Compound Name: 6-amino-4-[1-[(2-chlorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
• PubChem CID: 3996432
• Molecular Formula: C23H18ClN5O
• Molecular Weight: 415.88 g/mol
• Exact Mass: 415.12
• IUPAC Name: 6-amino-4-[1-[(2-chlorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
• SMILES: Cc1[nH]nc2c1C(c1cn(Cc3ccccc3Cl)c3ccccc13)C(C#N)=C(N)O2
• InChI: InChI=1S/C23H18ClN5O/c1-13-20-21(16(10-25)22(26)30-23(20)28-27-13)17-12-29(19-9-5-3-7-15(17)19)11-14-6-2-4-8-18(14)24/h2-9,12,21H,11,26H2,1H3,(H,27,28)
• InChIKey: ILNSWDDODVDARK-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 92.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.88
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[1-[(2-chlorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?

The IUPAC name of 6-amino-4-[1-[(2-chlorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 3996432) is 6-amino-4-[1-[(2-chlorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

What is the SMILES notation for 6-amino-4-[1-[(2-chlorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?

The canonical SMILES for 6-amino-4-[1-[(2-chlorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is Cc1[nH]nc2c1C(c1cn(Cc3ccccc3Cl)c3ccccc13)C(C#N)=C(N)O2.

What is the InChIKey of 6-amino-4-[1-[(2-chlorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?

The InChIKey is ILNSWDDODVDARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O/c1-13-20-21(16(10-25)22(26)30-23(20)28-27-13)17-12-29(19-9-5-3-7-15(17)19)11-14-6-2-4-8-18(14)24/h2-9,12,21H,11,26H2,1H3,(H,27,28).

What are the key properties of 6-amino-4-[1-[(2-chlorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?

6-amino-4-[1-[(2-chlorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 415.88 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-4-[1-[(2-chlorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 3996432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).