1-(2,4-difluorophenyl)-7-[(3R)-3-(hydroxymethyl)morpholin-4-yl]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide

C31H34F2N4O4 — CID 155237221

About 1-(2,4-difluorophenyl)-7-[(3R)-3-(hydroxymethyl)morpholin-4-yl]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide

1-(2,4-difluorophenyl)-7-[(3R)-3-(hydroxymethyl)morpholin-4-yl]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 155237221) has the molecular formula C31H34F2N4O4 and a molecular weight of 564.63 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-7-[(3R)-3-(hydroxymethyl)morpholin-4-yl]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2,4-difluorophenyl)-7-[(3R)-3-(hydroxymethyl)morpholin-4-yl]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 155237221
• Molecular Formula: C31H34F2N4O4
• Molecular Weight: 564.63 g/mol
• Exact Mass: 564.25
• IUPAC Name: 1-(2,4-difluorophenyl)-7-[(3R)-3-(hydroxymethyl)morpholin-4-yl]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: CC1(NC(=O)c2cn(-c3ccc(F)cc3F)c3nc(N4CCOC[C@H]4CO)ccc3c2=O)CC2CC3CC(C1)C3C2
• InChI: InChI=1S/C31H34F2N4O4/c1-31(12-17-8-18-10-19(13-31)23(18)9-17)35-30(40)24-14-37(26-4-2-20(32)11-25(26)33)29-22(28(24)39)3-5-27(34-29)36-6-7-41-16-21(36)15-38/h2-5,11,14,17-19,21,23,38H,6-10,12-13,15-16H2,1H3,(H,35,40)/t17?,18?,19?,21-,23?,31?/m1/s1
• InChIKey: MMRSIGADNFZUGK-OMEIXOKHSA-N
• XLogP: 3.81
• TPSA: 96.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.63
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-7-[(3R)-3-(hydroxymethyl)morpholin-4-yl]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 1-(2,4-difluorophenyl)-7-[(3R)-3-(hydroxymethyl)morpholin-4-yl]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide (CID 155237221) is 1-(2,4-difluorophenyl)-7-[(3R)-3-(hydroxymethyl)morpholin-4-yl]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for 1-(2,4-difluorophenyl)-7-[(3R)-3-(hydroxymethyl)morpholin-4-yl]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 1-(2,4-difluorophenyl)-7-[(3R)-3-(hydroxymethyl)morpholin-4-yl]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide is CC1(NC(=O)c2cn(-c3ccc(F)cc3F)c3nc(N4CCOC[C@H]4CO)ccc3c2=O)CC2CC3CC(C1)C3C2.

What is the InChIKey of 1-(2,4-difluorophenyl)-7-[(3R)-3-(hydroxymethyl)morpholin-4-yl]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide?

The InChIKey is MMRSIGADNFZUGK-OMEIXOKHSA-N. The full InChI is InChI=1S/C31H34F2N4O4/c1-31(12-17-8-18-10-19(13-31)23(18)9-17)35-30(40)24-14-37(26-4-2-20(32)11-25(26)33)29-22(28(24)39)3-5-27(34-29)36-6-7-41-16-21(36)15-38/h2-5,11,14,17-19,21,23,38H,6-10,12-13,15-16H2,1H3,(H,35,40)/t17?,18?,19?,21-,23?,31?/m1/s1.

What are the key properties of 1-(2,4-difluorophenyl)-7-[(3R)-3-(hydroxymethyl)morpholin-4-yl]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide?

1-(2,4-difluorophenyl)-7-[(3R)-3-(hydroxymethyl)morpholin-4-yl]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 564.63 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,4-difluorophenyl)-7-[(3R)-3-(hydroxymethyl)morpholin-4-yl]-N-(5-methyl-5-tricyclo[5.2.1.03,9]decanyl)-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 155237221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).