(4R)-6-amino-4-(4-propoxyphenyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C20H18N4O2S — CID 40590157

About (4R)-6-amino-4-(4-propoxyphenyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

(4R)-6-amino-4-(4-propoxyphenyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 40590157) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is (4R)-6-amino-4-(4-propoxyphenyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

• Compound Name: (4R)-6-amino-4-(4-propoxyphenyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
• PubChem CID: 40590157
• Molecular Formula: C20H18N4O2S
• Molecular Weight: 378.46 g/mol
• Exact Mass: 378.12
• IUPAC Name: (4R)-6-amino-4-(4-propoxyphenyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
• SMILES: CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4cccs4)c32)cc1
• InChI: InChI=1S/C20H18N4O2S/c1-2-9-25-13-7-5-12(6-8-13)16-14(11-21)19(22)26-20-17(16)18(23-24-20)15-4-3-10-27-15/h3-8,10,16H,2,9,22H2,1H3,(H,23,24)/t16-/m1/s1
• InChIKey: INYDKJPXHDMHJX-MRXNPFEDSA-N
• XLogP: 4.15
• TPSA: 96.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.46
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (4R)-6-amino-4-(4-propoxyphenyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 40590157) is (4R)-6-amino-4-(4-propoxyphenyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

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

The canonical SMILES for (4R)-6-amino-4-(4-propoxyphenyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4cccs4)c32)cc1.

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

The InChIKey is INYDKJPXHDMHJX-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-2-9-25-13-7-5-12(6-8-13)16-14(11-21)19(22)26-20-17(16)18(23-24-20)15-4-3-10-27-15/h3-8,10,16H,2,9,22H2,1H3,(H,23,24)/t16-/m1/s1.

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

(4R)-6-amino-4-(4-propoxyphenyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 378.46 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-6-amino-4-(4-propoxyphenyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 40590157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).