(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-(1R,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-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)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide

C154H166Cl4N38O12 — CID 158533101

IUPAC(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-(1R,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-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)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
SMILESCOC1CN(C2C[C@@H]3C(C(=O)Nc4cc5cc(-c6ccccc6C)nc(N)c5cn4)[C@@H]3C2)C1.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.NCCOCCn1cc([C@@H]2C[C@H]2C(=O)Nc2cc3cc(-c4c(Cl)cccc4Cl)nc(N)c3cn2)cn1.NCCOCCn1cc([C@H]2C[C@@H]2C(=O)Nc2cc3cc(-c4c(Cl)cccc4Cl)nc(N)c3cn2)cn1
InChIInChI=1S/2C26H29N7O2.2C26H29N5O2.2C25H25Cl2N7O2/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;2*26-19-2-1-3-20(27)23(19)21-8-14-9-22(30-12-18(14)24(29)32-21)33-25(35)17-10-16(17)15-11-31-34(13-15)5-7-36-6-4-28/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);2*1-3,8-9,11-13,16-17H,4-7,10,28H2,(H2,29,32)(H,30,33,35)/t2*20-,21+;16?,19-,20+,24?;17?,19-,20+,24?;2*16-,17+/m10..10/s1
InChIKeyHNPRSZQUNHEULU-UHKJTHAISA-N
MW2883.09 g/mol
LogP21.37
Rot. Bonds45

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-(1R,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-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)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-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-(1R,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-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)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide (PubChem CID 158533101) has the molecular formula C154H166Cl4N38O12 and a molecular weight of 2883.09 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-(1R,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-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)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-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-(1R,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-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)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
PubChem CID158533101
Molecular FormulaC154H166Cl4N38O12
Molecular Weight2883.09 g/mol
Exact Mass2879.23
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-(1R,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-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)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
SMILESCOC1CN(C2C[C@@H]3C(C(=O)Nc4cc5cc(-c6ccccc6C)nc(N)c5cn4)[C@@H]3C2)C1.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.NCCOCCn1cc([C@@H]2C[C@H]2C(=O)Nc2cc3cc(-c4c(Cl)cccc4Cl)nc(N)c3cn2)cn1.NCCOCCn1cc([C@H]2C[C@@H]2C(=O)Nc2cc3cc(-c4c(Cl)cccc4Cl)nc(N)c3cn2)cn1
InChIInChI=1S/2C26H29N7O2.2C26H29N5O2.2C25H25Cl2N7O2/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;2*26-19-2-1-3-20(27)23(19)21-8-14-9-22(30-12-18(14)24(29)32-21)33-25(35)17-10-16(17)15-11-31-34(13-15)5-7-36-6-4-28/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);2*1-3,8-9,11-13,16-17H,4-7,10,28H2,(H2,29,32)(H,30,33,35)/t2*20-,21+;16?,19-,20+,24?;17?,19-,20+,24?;2*16-,17+/m10..10/s1
InChIKeyHNPRSZQUNHEULU-UHKJTHAISA-N
XLogP21.37
TPSA722.62 Ų
H-Bond Donors16
H-Bond Acceptors44
Rotatable Bonds45
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002883.09
LogP ≤ 521.37
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

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

Analyze (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-(1R,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-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)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide with MolForge

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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-(1R,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-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)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-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-(1R,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-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)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide (CID 158533101) 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-(1R,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-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)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-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-(1R,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-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)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-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-(1R,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-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)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide is COC1CN(C2C[C@@H]3C(C(=O)Nc4cc5cc(-c6ccccc6C)nc(N)c5cn4)[C@@H]3C2)C1.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.NCCOCCn1cc([C@@H]2C[C@H]2C(=O)Nc2cc3cc(-c4c(Cl)cccc4Cl)nc(N)c3cn2)cn1.NCCOCCn1cc([C@H]2C[C@@H]2C(=O)Nc2cc3cc(-c4c(Cl)cccc4Cl)nc(N)c3cn2)cn1.
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-(1R,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-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)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is HNPRSZQUNHEULU-UHKJTHAISA-N. The full InChI is InChI=1S/2C26H29N7O2.2C26H29N5O2.2C25H25Cl2N7O2/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;2*26-19-2-1-3-20(27)23(19)21-8-14-9-22(30-12-18(14)24(29)32-21)33-25(35)17-10-16(17)15-11-31-34(13-15)5-7-36-6-4-28/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);2*1-3,8-9,11-13,16-17H,4-7,10,28H2,(H2,29,32)(H,30,33,35)/t2*20-,21+;16?,19-,20+,24?;17?,19-,20+,24?;2*16-,17+/m10..10/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-(1R,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-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)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-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-(1R,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-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)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 2883.09 g/mol, XLogP of 21.37, 45 rotatable bonds, 16 hydrogen bond donors, and 44 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-(1R,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-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)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 158533101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).