(4R)-4-(4-cyano-2-methoxyphenyl)-5-[(2-fluoro-2-methylcyclopropyl)methoxy]-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide

C24H25FN4O3 — CID 160788831

About (4R)-4-(4-cyano-2-methoxyphenyl)-5-[(2-fluoro-2-methylcyclopropyl)methoxy]-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide

(4R)-4-(4-cyano-2-methoxyphenyl)-5-[(2-fluoro-2-methylcyclopropyl)methoxy]-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide (PubChem CID 160788831) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is (4R)-4-(4-cyano-2-methoxyphenyl)-5-[(2-fluoro-2-methylcyclopropyl)methoxy]-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: (4R)-4-(4-cyano-2-methoxyphenyl)-5-[(2-fluoro-2-methylcyclopropyl)methoxy]-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide
• PubChem CID: 160788831
• Molecular Formula: C24H25FN4O3
• Molecular Weight: 436.49 g/mol
• Exact Mass: 436.19
• IUPAC Name: (4R)-4-(4-cyano-2-methoxyphenyl)-5-[(2-fluoro-2-methylcyclopropyl)methoxy]-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide
• SMILES: COc1cc(C#N)ccc1[C@H]1C(C(N)=O)=C(C)Nc2c(C)cnc(OCC3CC3(C)F)c21
• InChI: InChI=1S/C24H25FN4O3/c1-12-10-28-23(32-11-15-8-24(15,3)25)20-19(18(22(27)30)13(2)29-21(12)20)16-6-5-14(9-26)7-17(16)31-4/h5-7,10,15,19,29H,8,11H2,1-4H3,(H2,27,30)/t15?,19-,24?/m0/s1
• InChIKey: MGBIALODIZJTKX-ZEVUCKTBSA-N
• XLogP: 3.71
• TPSA: 110.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.49
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-cyano-2-methoxyphenyl)-5-[(2-fluoro-2-methylcyclopropyl)methoxy]-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide?

The IUPAC name of (4R)-4-(4-cyano-2-methoxyphenyl)-5-[(2-fluoro-2-methylcyclopropyl)methoxy]-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide (CID 160788831) is (4R)-4-(4-cyano-2-methoxyphenyl)-5-[(2-fluoro-2-methylcyclopropyl)methoxy]-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide.

What is the SMILES notation for (4R)-4-(4-cyano-2-methoxyphenyl)-5-[(2-fluoro-2-methylcyclopropyl)methoxy]-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide?

The canonical SMILES for (4R)-4-(4-cyano-2-methoxyphenyl)-5-[(2-fluoro-2-methylcyclopropyl)methoxy]-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide is COc1cc(C#N)ccc1[C@H]1C(C(N)=O)=C(C)Nc2c(C)cnc(OCC3CC3(C)F)c21.

What is the InChIKey of (4R)-4-(4-cyano-2-methoxyphenyl)-5-[(2-fluoro-2-methylcyclopropyl)methoxy]-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide?

The InChIKey is MGBIALODIZJTKX-ZEVUCKTBSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-12-10-28-23(32-11-15-8-24(15,3)25)20-19(18(22(27)30)13(2)29-21(12)20)16-6-5-14(9-26)7-17(16)31-4/h5-7,10,15,19,29H,8,11H2,1-4H3,(H2,27,30)/t15?,19-,24?/m0/s1.

What are the key properties of (4R)-4-(4-cyano-2-methoxyphenyl)-5-[(2-fluoro-2-methylcyclopropyl)methoxy]-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide?

(4R)-4-(4-cyano-2-methoxyphenyl)-5-[(2-fluoro-2-methylcyclopropyl)methoxy]-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-(4-cyano-2-methoxyphenyl)-5-[(2-fluoro-2-methylcyclopropyl)methoxy]-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 160788831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).