(4R)-6-amino-4-[5-(4-chlorophenyl)furan-2-yl]-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C24H17ClN4O3 — CID 1006246

About (4R)-6-amino-4-[5-(4-chlorophenyl)furan-2-yl]-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

(4R)-6-amino-4-[5-(4-chlorophenyl)furan-2-yl]-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 1006246) has the molecular formula C24H17ClN4O3 and a molecular weight of 444.88 g/mol. Its IUPAC name is (4R)-6-amino-4-[5-(4-chlorophenyl)furan-2-yl]-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

• Compound Name: (4R)-6-amino-4-[5-(4-chlorophenyl)furan-2-yl]-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
• PubChem CID: 1006246
• Molecular Formula: C24H17ClN4O3
• Molecular Weight: 444.88 g/mol
• Exact Mass: 444.10
• IUPAC Name: (4R)-6-amino-4-[5-(4-chlorophenyl)furan-2-yl]-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
• SMILES: COc1ccc(-c2[nH]nc3c2[C@H](c2ccc(-c4ccc(Cl)cc4)o2)C(C#N)=C(N)O3)cc1
• InChI: InChI=1S/C24H17ClN4O3/c1-30-16-8-4-14(5-9-16)22-21-20(17(12-26)23(27)32-24(21)29-28-22)19-11-10-18(31-19)13-2-6-15(25)7-3-13/h2-11,20H,27H2,1H3,(H,28,29)/t20-/m0/s1
• InChIKey: SCNGQJUKUXLXFO-FQEVSTJZSA-N
• XLogP: 5.22
• TPSA: 110.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.88
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (4R)-6-amino-4-[5-(4-chlorophenyl)furan-2-yl]-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 1006246) is (4R)-6-amino-4-[5-(4-chlorophenyl)furan-2-yl]-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

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

The canonical SMILES for (4R)-6-amino-4-[5-(4-chlorophenyl)furan-2-yl]-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is COc1ccc(-c2[nH]nc3c2[C@H](c2ccc(-c4ccc(Cl)cc4)o2)C(C#N)=C(N)O3)cc1.

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

The InChIKey is SCNGQJUKUXLXFO-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H17ClN4O3/c1-30-16-8-4-14(5-9-16)22-21-20(17(12-26)23(27)32-24(21)29-28-22)19-11-10-18(31-19)13-2-6-15(25)7-3-13/h2-11,20H,27H2,1H3,(H,28,29)/t20-/m0/s1.

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

(4R)-6-amino-4-[5-(4-chlorophenyl)furan-2-yl]-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 444.88 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-6-amino-4-[5-(4-chlorophenyl)furan-2-yl]-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 1006246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).