(1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide

C109H104F3N25O7 — CID 159062588

About (1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide

(1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 159062588) has the molecular formula C109H104F3N25O7 and a molecular weight of 1933.19 g/mol. Its IUPAC name is (1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: (1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
• PubChem CID: 159062588
• Molecular Formula: C109H104F3N25O7
• Molecular Weight: 1933.19 g/mol
• Exact Mass: 1931.85
• IUPAC Name: (1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
• SMILES: COCCN1C[C@@H]2C(C(=O)Nc3cc4cc(-c5ccccc5C)nc(N)c4cn3)[C@@H]2C1.Cc1ccccc1-c1cc2cc(NC(=O)C3[C@H]4COC[C@@H]34)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C(F)(F)F)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3ccn[nH]3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cn[nH]c3)ncc2c(N)n1
• InChI: InChI=1S/C24H27N5O2.2C22H20N6O.C21H20N4O2.C20H17F3N4O/c1-14-5-3-4-6-16(14)20-9-15-10-21(26-11-17(15)23(25)27-20)28-24(30)22-18-12-29(7-8-31-2)13-19(18)22;1-12-4-2-3-5-15(12)19-6-13-7-20(24-11-18(13)21(23)27-19)28-22(29)17-8-16(17)14-9-25-26-10-14;1-12-4-2-3-5-14(12)19-8-13-9-20(24-11-17(13)21(23)26-19)27-22(29)16-10-15(16)18-6-7-25-28-18;1-11-4-2-3-5-13(11)17-6-12-7-18(23-8-14(12)20(22)24-17)25-21(26)19-15-9-27-10-16(15)19;1-10-4-2-3-5-12(10)16-6-11-7-17(25-9-14(11)18(24)26-16)27-19(28)13-8-15(13)20(21,22)23/h3-6,9-11,18-19,22H,7-8,12-13H2,1-2H3,(H2,25,27)(H,26,28,30);2-7,9-11,16-17H,8H2,1H3,(H2,23,27)(H,25,26)(H,24,28,29);2-9,11,15-16H,10H2,1H3,(H2,23,26)(H,25,28)(H,24,27,29);2-8,15-16,19H,9-10H2,1H3,(H2,22,24)(H,23,25,26);2-7,9,13,15H,8H2,1H3,(H2,24,26)(H,25,27,28)/t18-,19+,22?;16-,17+;15-,16-;15-,16+,19?;13-,15-/m.01.1/s1
• InChIKey: JYQRNUBBGHVUMH-IJZMFKQJSA-N
• XLogP: 17.60
• TPSA: 483.56 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1933.19
LogP ≤ 5	17.60
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?

The IUPAC name of (1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide (CID 159062588) is (1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide.

What is the SMILES notation for (1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?

The canonical SMILES for (1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide is COCCN1C[C@@H]2C(C(=O)Nc3cc4cc(-c5ccccc5C)nc(N)c4cn3)[C@@H]2C1.Cc1ccccc1-c1cc2cc(NC(=O)C3[C@H]4COC[C@@H]34)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C(F)(F)F)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3ccn[nH]3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cn[nH]c3)ncc2c(N)n1.

What is the InChIKey of (1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?

The InChIKey is JYQRNUBBGHVUMH-IJZMFKQJSA-N. The full InChI is InChI=1S/C24H27N5O2.2C22H20N6O.C21H20N4O2.C20H17F3N4O/c1-14-5-3-4-6-16(14)20-9-15-10-21(26-11-17(15)23(25)27-20)28-24(30)22-18-12-29(7-8-31-2)13-19(18)22;1-12-4-2-3-5-15(12)19-6-13-7-20(24-11-18(13)21(23)27-19)28-22(29)17-8-16(17)14-9-25-26-10-14;1-12-4-2-3-5-14(12)19-8-13-9-20(24-11-17(13)21(23)26-19)27-22(29)16-10-15(16)18-6-7-25-28-18;1-11-4-2-3-5-13(11)17-6-12-7-18(23-8-14(12)20(22)24-17)25-21(26)19-15-9-27-10-16(15)19;1-10-4-2-3-5-12(10)16-6-11-7-17(25-9-14(11)18(24)26-16)27-19(28)13-8-15(13)20(21,22)23/h3-6,9-11,18-19,22H,7-8,12-13H2,1-2H3,(H2,25,27)(H,26,28,30);2-7,9-11,16-17H,8H2,1H3,(H2,23,27)(H,25,26)(H,24,28,29);2-9,11,15-16H,10H2,1H3,(H2,23,26)(H,25,28)(H,24,27,29);2-8,15-16,19H,9-10H2,1H3,(H2,22,24)(H,23,25,26);2-7,9,13,15H,8H2,1H3,(H2,24,26)(H,25,27,28)/t18-,19+,22?;16-,17+;15-,16-;15-,16+,19?;13-,15-/m.01.1/s1.

What are the key properties of (1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?

(1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 1933.19 g/mol, XLogP of 17.60, 20 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 159062588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).