6-amino-4-[7-ethyl-1-[(2-fluorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C25H22FN5O — CID 4266004

About 6-amino-4-[7-ethyl-1-[(2-fluorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-[7-ethyl-1-[(2-fluorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 4266004) has the molecular formula C25H22FN5O and a molecular weight of 427.48 g/mol. Its IUPAC name is 6-amino-4-[7-ethyl-1-[(2-fluorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

• Compound Name: 6-amino-4-[7-ethyl-1-[(2-fluorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
• PubChem CID: 4266004
• Molecular Formula: C25H22FN5O
• Molecular Weight: 427.48 g/mol
• Exact Mass: 427.18
• IUPAC Name: 6-amino-4-[7-ethyl-1-[(2-fluorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
• SMILES: CCc1cccc2c(C3C(C#N)=C(N)Oc4n[nH]c(C)c43)cn(Cc3ccccc3F)c12
• InChI: InChI=1S/C25H22FN5O/c1-3-15-8-6-9-17-19(13-31(23(15)17)12-16-7-4-5-10-20(16)26)22-18(11-27)24(28)32-25-21(22)14(2)29-30-25/h4-10,13,22H,3,12,28H2,1-2H3,(H,29,30)
• InChIKey: AKFSPPCUTZLBNA-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 92.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.48
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[7-ethyl-1-[(2-fluorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?

The IUPAC name of 6-amino-4-[7-ethyl-1-[(2-fluorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 4266004) is 6-amino-4-[7-ethyl-1-[(2-fluorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

What is the SMILES notation for 6-amino-4-[7-ethyl-1-[(2-fluorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?

The canonical SMILES for 6-amino-4-[7-ethyl-1-[(2-fluorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCc1cccc2c(C3C(C#N)=C(N)Oc4n[nH]c(C)c43)cn(Cc3ccccc3F)c12.

What is the InChIKey of 6-amino-4-[7-ethyl-1-[(2-fluorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?

The InChIKey is AKFSPPCUTZLBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O/c1-3-15-8-6-9-17-19(13-31(23(15)17)12-16-7-4-5-10-20(16)26)22-18(11-27)24(28)32-25-21(22)14(2)29-30-25/h4-10,13,22H,3,12,28H2,1-2H3,(H,29,30).

What are the key properties of 6-amino-4-[7-ethyl-1-[(2-fluorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?

6-amino-4-[7-ethyl-1-[(2-fluorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 427.48 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-4-[7-ethyl-1-[(2-fluorophenyl)methyl]indol-3-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 4266004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).