[2-amino-5-cyano-4-[3-(4-fluorophenyl)-1,7-naphthyridin-5-yl]-6-methyl-1,4-dihydropyridin-3-yl] propan-2-yl carbonate

C25H22FN5O3 — CID 67845615

IUPAC[2-amino-5-cyano-4-[3-(4-fluorophenyl)-1,7-naphthyridin-5-yl]-6-methyl-1,4-dihydropyridin-3-yl] propan-2-yl carbonate
SMILESCC1=C(C#N)C(c2cncc3ncc(-c4ccc(F)cc4)cc23)C(OC(=O)OC(C)C)=C(N)N1
InChIInChI=1S/C25H22FN5O3/c1-13(2)33-25(32)34-23-22(19(9-27)14(3)31-24(23)28)20-11-29-12-21-18(20)8-16(10-30-21)15-4-6-17(26)7-5-15/h4-8,10-13,22,31H,28H2,1-3H3
InChIKeyHDRIJUUTYYQNNL-UHFFFAOYSA-N
MW459.48 g/mol
LogP4.61
Rot. Bonds4

About [2-amino-5-cyano-4-[3-(4-fluorophenyl)-1,7-naphthyridin-5-yl]-6-methyl-1,4-dihydropyridin-3-yl] propan-2-yl carbonate

[2-amino-5-cyano-4-[3-(4-fluorophenyl)-1,7-naphthyridin-5-yl]-6-methyl-1,4-dihydropyridin-3-yl] propan-2-yl carbonate (PubChem CID 67845615) has the molecular formula C25H22FN5O3 and a molecular weight of 459.48 g/mol. Its IUPAC name is [2-amino-5-cyano-4-[3-(4-fluorophenyl)-1,7-naphthyridin-5-yl]-6-methyl-1,4-dihydropyridin-3-yl] propan-2-yl carbonate.

Molecular Properties

Compound Name[2-amino-5-cyano-4-[3-(4-fluorophenyl)-1,7-naphthyridin-5-yl]-6-methyl-1,4-dihydropyridin-3-yl] propan-2-yl carbonate
PubChem CID67845615
Molecular FormulaC25H22FN5O3
Molecular Weight459.48 g/mol
Exact Mass459.17
IUPAC Name[2-amino-5-cyano-4-[3-(4-fluorophenyl)-1,7-naphthyridin-5-yl]-6-methyl-1,4-dihydropyridin-3-yl] propan-2-yl carbonate
SMILESCC1=C(C#N)C(c2cncc3ncc(-c4ccc(F)cc4)cc23)C(OC(=O)OC(C)C)=C(N)N1
InChIInChI=1S/C25H22FN5O3/c1-13(2)33-25(32)34-23-22(19(9-27)14(3)31-24(23)28)20-11-29-12-21-18(20)8-16(10-30-21)15-4-6-17(26)7-5-15/h4-8,10-13,22,31H,28H2,1-3H3
InChIKeyHDRIJUUTYYQNNL-UHFFFAOYSA-N
XLogP4.61
TPSA123.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.48
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-amino-5-cyano-4-[3-(4-fluorophenyl)-1,7-naphthyridin-5-yl]-6-methyl-1,4-dihydropyridin-3-yl] propan-2-yl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-cyano-4-[3-(4-fluorophenyl)-1,7-naphthyridin-5-yl]-6-methyl-1,4-dihydropyridin-3-yl] propan-2-yl carbonate?
The IUPAC name of [2-amino-5-cyano-4-[3-(4-fluorophenyl)-1,7-naphthyridin-5-yl]-6-methyl-1,4-dihydropyridin-3-yl] propan-2-yl carbonate (CID 67845615) is [2-amino-5-cyano-4-[3-(4-fluorophenyl)-1,7-naphthyridin-5-yl]-6-methyl-1,4-dihydropyridin-3-yl] propan-2-yl carbonate.
What is the SMILES notation for [2-amino-5-cyano-4-[3-(4-fluorophenyl)-1,7-naphthyridin-5-yl]-6-methyl-1,4-dihydropyridin-3-yl] propan-2-yl carbonate?
The canonical SMILES for [2-amino-5-cyano-4-[3-(4-fluorophenyl)-1,7-naphthyridin-5-yl]-6-methyl-1,4-dihydropyridin-3-yl] propan-2-yl carbonate is CC1=C(C#N)C(c2cncc3ncc(-c4ccc(F)cc4)cc23)C(OC(=O)OC(C)C)=C(N)N1.
What is the InChIKey of [2-amino-5-cyano-4-[3-(4-fluorophenyl)-1,7-naphthyridin-5-yl]-6-methyl-1,4-dihydropyridin-3-yl] propan-2-yl carbonate?
The InChIKey is HDRIJUUTYYQNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O3/c1-13(2)33-25(32)34-23-22(19(9-27)14(3)31-24(23)28)20-11-29-12-21-18(20)8-16(10-30-21)15-4-6-17(26)7-5-15/h4-8,10-13,22,31H,28H2,1-3H3.
What are the key properties of [2-amino-5-cyano-4-[3-(4-fluorophenyl)-1,7-naphthyridin-5-yl]-6-methyl-1,4-dihydropyridin-3-yl] propan-2-yl carbonate?
[2-amino-5-cyano-4-[3-(4-fluorophenyl)-1,7-naphthyridin-5-yl]-6-methyl-1,4-dihydropyridin-3-yl] propan-2-yl carbonate has a molecular weight of 459.48 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-cyano-4-[3-(4-fluorophenyl)-1,7-naphthyridin-5-yl]-6-methyl-1,4-dihydropyridin-3-yl] propan-2-yl carbonate is sourced from PubChem (CID 67845615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).