6-amino-4-[4-[(4-fluorophenyl)methoxy]-3,5-dimethoxyphenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C24H23FN4O5 — CID 4258970

About 6-amino-4-[4-[(4-fluorophenyl)methoxy]-3,5-dimethoxyphenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-[4-[(4-fluorophenyl)methoxy]-3,5-dimethoxyphenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 4258970) has the molecular formula C24H23FN4O5 and a molecular weight of 466.47 g/mol. Its IUPAC name is 6-amino-4-[4-[(4-fluorophenyl)methoxy]-3,5-dimethoxyphenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

• Compound Name: 6-amino-4-[4-[(4-fluorophenyl)methoxy]-3,5-dimethoxyphenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
• PubChem CID: 4258970
• Molecular Formula: C24H23FN4O5
• Molecular Weight: 466.47 g/mol
• Exact Mass: 466.17
• IUPAC Name: 6-amino-4-[4-[(4-fluorophenyl)methoxy]-3,5-dimethoxyphenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
• SMILES: COCc1[nH]nc2c1C(c1cc(OC)c(OCc3ccc(F)cc3)c(OC)c1)C(C#N)=C(N)O2
• InChI: InChI=1S/C24H23FN4O5/c1-30-12-17-21-20(16(10-26)23(27)34-24(21)29-28-17)14-8-18(31-2)22(19(9-14)32-3)33-11-13-4-6-15(25)7-5-13/h4-9,20H,11-12,27H2,1-3H3,(H,28,29)
• InChIKey: HBCUTVQFECTHBK-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 124.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.47
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[4-[(4-fluorophenyl)methoxy]-3,5-dimethoxyphenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?

The IUPAC name of 6-amino-4-[4-[(4-fluorophenyl)methoxy]-3,5-dimethoxyphenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 4258970) is 6-amino-4-[4-[(4-fluorophenyl)methoxy]-3,5-dimethoxyphenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

What is the SMILES notation for 6-amino-4-[4-[(4-fluorophenyl)methoxy]-3,5-dimethoxyphenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?

The canonical SMILES for 6-amino-4-[4-[(4-fluorophenyl)methoxy]-3,5-dimethoxyphenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is COCc1[nH]nc2c1C(c1cc(OC)c(OCc3ccc(F)cc3)c(OC)c1)C(C#N)=C(N)O2.

What is the InChIKey of 6-amino-4-[4-[(4-fluorophenyl)methoxy]-3,5-dimethoxyphenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?

The InChIKey is HBCUTVQFECTHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O5/c1-30-12-17-21-20(16(10-26)23(27)34-24(21)29-28-17)14-8-18(31-2)22(19(9-14)32-3)33-11-13-4-6-15(25)7-5-13/h4-9,20H,11-12,27H2,1-3H3,(H,28,29).

What are the key properties of 6-amino-4-[4-[(4-fluorophenyl)methoxy]-3,5-dimethoxyphenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?

6-amino-4-[4-[(4-fluorophenyl)methoxy]-3,5-dimethoxyphenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 466.47 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-4-[4-[(4-fluorophenyl)methoxy]-3,5-dimethoxyphenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 4258970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).