(1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(3-methoxyazetidin-1-yl)bicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylbicyclo[3.1.0]hexane-6-carboxamide;trans-(1S,2S)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C129H138N32O10 — CID 158738985

About (1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(3-methoxyazetidin-1-yl)bicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylbicyclo[3.1.0]hexane-6-carboxamide;trans-(1S,2S)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

(1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(3-methoxyazetidin-1-yl)bicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylbicyclo[3.1.0]hexane-6-carboxamide;trans-(1S,2S)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 158738985) has the molecular formula C129H138N32O10 and a molecular weight of 2296.74 g/mol. Its IUPAC name is (1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(3-methoxyazetidin-1-yl)bicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylbicyclo[3.1.0]hexane-6-carboxamide;trans-(1S,2S)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: (1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(3-methoxyazetidin-1-yl)bicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylbicyclo[3.1.0]hexane-6-carboxamide;trans-(1S,2S)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
• PubChem CID: 158738985
• Molecular Formula: C129H138N32O10
• Molecular Weight: 2296.74 g/mol
• Exact Mass: 2295.13
• IUPAC Name: (1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(3-methoxyazetidin-1-yl)bicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylbicyclo[3.1.0]hexane-6-carboxamide;trans-(1S,2S)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
• SMILES: COC1CN(C2C[C@@H]3C(C(=O)Nc4cc5cc(-c6ccccc6C)nc(N)c5cn4)[C@@H]3C2)C1.Cc1cc(-c2ncco2)ncc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)C3[C@H]4CC(N5CCOCC5)C[C@@H]34)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(CCOCCN)c3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(CCOCCN)c3)ncc2c(N)n1
• InChI: InChI=1S/2C26H29N7O2.2C26H29N5O2.C25H22N8O2/c2*1-16-4-2-3-5-19(16)23-10-17-11-24(29-14-22(17)25(28)31-23)32-26(34)21-12-20(21)18-13-30-33(15-18)7-9-35-8-6-27;1-14-5-3-4-6-18(14)22-7-15-8-23(28-11-21(15)25(27)29-22)30-26(32)24-19-9-16(10-20(19)24)31-12-17(13-31)33-2;1-15-4-2-3-5-18(15)22-10-16-11-23(28-14-21(16)25(27)29-22)30-26(32)24-19-12-17(13-20(19)24)31-6-8-33-9-7-31;1-13-5-21(25-27-3-4-35-25)28-10-18(13)20-6-14-7-22(29-11-19(14)23(26)31-20)32-24(34)17-8-16(17)15-9-30-33(2)12-15/h2*2-5,10-11,13-15,20-21H,6-9,12,27H2,1H3,(H2,28,31)(H,29,32,34);3-8,11,16-17,19-20,24H,9-10,12-13H2,1-2H3,(H2,27,29)(H,28,30,32);2-5,10-11,14,17,19-20,24H,6-9,12-13H2,1H3,(H2,27,29)(H,28,30,32);3-7,9-12,16-17H,8H2,1-2H3,(H2,26,31)(H,29,32,34)/t2*20-,21+;16?,19-,20+,24?;17?,19-,20+,24?;16-,17+/m10..1/s1
• InChIKey: IMAUEPVQGVMQHY-XILIMESCSA-N
• XLogP: 16.88
• TPSA: 592.32 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 37
• Rotatable Bonds: 32
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2296.74
LogP ≤ 5	16.88
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(3-methoxyazetidin-1-yl)bicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylbicyclo[3.1.0]hexane-6-carboxamide;trans-(1S,2S)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

The IUPAC name of (1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(3-methoxyazetidin-1-yl)bicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylbicyclo[3.1.0]hexane-6-carboxamide;trans-(1S,2S)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 158738985) is (1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(3-methoxyazetidin-1-yl)bicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylbicyclo[3.1.0]hexane-6-carboxamide;trans-(1S,2S)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for (1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(3-methoxyazetidin-1-yl)bicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylbicyclo[3.1.0]hexane-6-carboxamide;trans-(1S,2S)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

The canonical SMILES for (1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(3-methoxyazetidin-1-yl)bicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylbicyclo[3.1.0]hexane-6-carboxamide;trans-(1S,2S)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is COC1CN(C2C[C@@H]3C(C(=O)Nc4cc5cc(-c6ccccc6C)nc(N)c5cn4)[C@@H]3C2)C1.Cc1cc(-c2ncco2)ncc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)C3[C@H]4CC(N5CCOCC5)C[C@@H]34)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(CCOCCN)c3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(CCOCCN)c3)ncc2c(N)n1.

What is the InChIKey of (1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(3-methoxyazetidin-1-yl)bicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylbicyclo[3.1.0]hexane-6-carboxamide;trans-(1S,2S)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

The InChIKey is IMAUEPVQGVMQHY-XILIMESCSA-N. The full InChI is InChI=1S/2C26H29N7O2.2C26H29N5O2.C25H22N8O2/c2*1-16-4-2-3-5-19(16)23-10-17-11-24(29-14-22(17)25(28)31-23)32-26(34)21-12-20(21)18-13-30-33(15-18)7-9-35-8-6-27;1-14-5-3-4-6-18(14)22-7-15-8-23(28-11-21(15)25(27)29-22)30-26(32)24-19-9-16(10-20(19)24)31-12-17(13-31)33-2;1-15-4-2-3-5-18(15)22-10-16-11-23(28-14-21(16)25(27)29-22)30-26(32)24-19-12-17(13-20(19)24)31-6-8-33-9-7-31;1-13-5-21(25-27-3-4-35-25)28-10-18(13)20-6-14-7-22(29-11-19(14)23(26)31-20)32-24(34)17-8-16(17)15-9-30-33(2)12-15/h2*2-5,10-11,13-15,20-21H,6-9,12,27H2,1H3,(H2,28,31)(H,29,32,34);3-8,11,16-17,19-20,24H,9-10,12-13H2,1-2H3,(H2,27,29)(H,28,30,32);2-5,10-11,14,17,19-20,24H,6-9,12-13H2,1H3,(H2,27,29)(H,28,30,32);3-7,9-12,16-17H,8H2,1-2H3,(H2,26,31)(H,29,32,34)/t2*20-,21+;16?,19-,20+,24?;17?,19-,20+,24?;16-,17+/m10..1/s1.

What are the key properties of (1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(3-methoxyazetidin-1-yl)bicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylbicyclo[3.1.0]hexane-6-carboxamide;trans-(1S,2S)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

(1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(3-methoxyazetidin-1-yl)bicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylbicyclo[3.1.0]hexane-6-carboxamide;trans-(1S,2S)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 2296.74 g/mol, XLogP of 16.88, 32 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(3-methoxyazetidin-1-yl)bicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylbicyclo[3.1.0]hexane-6-carboxamide;trans-(1S,2S)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 158738985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).