benzyl 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;benzyl 5-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate

C60H54N14O6 — CID 158098084

About benzyl 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;benzyl 5-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate

benzyl 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;benzyl 5-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate (PubChem CID 158098084) has the molecular formula C60H54N14O6 and a molecular weight of 1067.18 g/mol. Its IUPAC name is benzyl 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;benzyl 5-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate.

Molecular Properties

• Compound Name: benzyl 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;benzyl 5-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate
• PubChem CID: 158098084
• Molecular Formula: C60H54N14O6
• Molecular Weight: 1067.18 g/mol
• Exact Mass: 1066.44
• IUPAC Name: benzyl 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;benzyl 5-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate
• SMILES: Cc1cc(C(=O)OCc2ccccc2)ncc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1cc(C(=O)OCc2ccccc2)ncc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1
• InChI: InChI=1S/2C30H27N7O3/c2*1-17-8-26(30(39)40-16-18-6-4-3-5-7-18)32-13-23(17)25-9-19-10-27(33-14-24(19)28(31)35-25)36-29(38)22-11-21(22)20-12-34-37(2)15-20/h2*3-10,12-15,21-22H,11,16H2,1-2H3,(H2,31,35)(H,33,36,38)/t2*21-,22+/m10/s1
• InChIKey: FOXIPLGNWWNZMR-WJVAFOSCSA-N
• XLogP: 8.83
• TPSA: 275.82 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1067.18
LogP ≤ 5	8.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of benzyl 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;benzyl 5-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate?

The IUPAC name of benzyl 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;benzyl 5-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate (CID 158098084) is benzyl 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;benzyl 5-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate.

What is the SMILES notation for benzyl 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;benzyl 5-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate?

The canonical SMILES for benzyl 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;benzyl 5-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate is Cc1cc(C(=O)OCc2ccccc2)ncc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1cc(C(=O)OCc2ccccc2)ncc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1.

What is the InChIKey of benzyl 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;benzyl 5-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate?

The InChIKey is FOXIPLGNWWNZMR-WJVAFOSCSA-N. The full InChI is InChI=1S/2C30H27N7O3/c2*1-17-8-26(30(39)40-16-18-6-4-3-5-7-18)32-13-23(17)25-9-19-10-27(33-14-24(19)28(31)35-25)36-29(38)22-11-21(22)20-12-34-37(2)15-20/h2*3-10,12-15,21-22H,11,16H2,1-2H3,(H2,31,35)(H,33,36,38)/t2*21-,22+/m10/s1.

What are the key properties of benzyl 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;benzyl 5-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate?

benzyl 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;benzyl 5-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate has a molecular weight of 1067.18 g/mol, XLogP of 8.83, 14 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;benzyl 5-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate is sourced from PubChem (CID 158098084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).