(2R,3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(2S,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;trans-(1R,2R)-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;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C146H140N34O11 — CID 158742078

IUPAC(2R,3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(2S,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;trans-(1R,2R)-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;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCc1cc(-c2ncco2)ncc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1cccc(-c2ccccc2)c1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)C3C[C@@]34CCNC(=O)C4)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@@]34CCNC(=O)C4)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@]34CCNC(=O)C4)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@]34CCNC(=O)C4)ncc2c(N)n1
InChIInChI=1S/C29H26N6O.C25H22N8O2.4C23H23N5O2/c1-17-7-6-10-21(18-8-4-3-5-9-18)27(17)25-11-19-12-26(31-15-24(19)28(30)33-25)34-29(36)23-13-22(23)20-14-32-35(2)16-20;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;4*1-13-4-2-3-5-15(13)18-8-14-9-19(26-12-16(14)21(24)27-18)28-22(30)17-10-23(17)6-7-25-20(29)11-23/h3-12,14-16,22-23H,13H2,1-2H3,(H2,30,33)(H,31,34,36);3-7,9-12,16-17H,8H2,1-2H3,(H2,26,31)(H,29,32,34);4*2-5,8-9,12,17H,6-7,10-11H2,1H3,(H2,24,27)(H,25,29)(H,26,28,30)/t22-,23+;16-,17+;17?,23-;2*17-,23+;17-,23-/m101100/s1
InChIKeyIMKONHBOBIWMRA-XFQCUCTQSA-N
MW2546.95 g/mol
LogP21.21
Rot. Bonds22

About (2R,3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(2S,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;trans-(1R,2R)-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;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

(2R,3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(2S,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;trans-(1R,2R)-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;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 158742078) has the molecular formula C146H140N34O11 and a molecular weight of 2546.95 g/mol. Its IUPAC name is (2R,3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(2S,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;trans-(1R,2R)-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;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(2S,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;trans-(1R,2R)-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;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID158742078
Molecular FormulaC146H140N34O11
Molecular Weight2546.95 g/mol
Exact Mass2545.14
IUPAC Name(2R,3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(2S,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;trans-(1R,2R)-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;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCc1cc(-c2ncco2)ncc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1cccc(-c2ccccc2)c1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)C3C[C@@]34CCNC(=O)C4)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@@]34CCNC(=O)C4)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@]34CCNC(=O)C4)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@]34CCNC(=O)C4)ncc2c(N)n1
InChIInChI=1S/C29H26N6O.C25H22N8O2.4C23H23N5O2/c1-17-7-6-10-21(18-8-4-3-5-9-18)27(17)25-11-19-12-26(31-15-24(19)28(30)33-25)34-29(36)23-13-22(23)20-14-32-35(2)16-20;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;4*1-13-4-2-3-5-15(13)18-8-14-9-19(26-12-16(14)21(24)27-18)28-22(30)17-10-23(17)6-7-25-20(29)11-23/h3-12,14-16,22-23H,13H2,1-2H3,(H2,30,33)(H,31,34,36);3-7,9-12,16-17H,8H2,1-2H3,(H2,26,31)(H,29,32,34);4*2-5,8-9,12,17H,6-7,10-11H2,1H3,(H2,24,27)(H,25,29)(H,26,28,30)/t22-,23+;16-,17+;17?,23-;2*17-,23+;17-,23-/m101100/s1
InChIKeyIMKONHBOBIWMRA-XFQCUCTQSA-N
XLogP21.21
TPSA676.36 Ų
H-Bond Donors16
H-Bond Acceptors35
Rotatable Bonds22
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002546.95
LogP ≤ 521.21
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1035

Analyze (2R,3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(2S,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;trans-(1R,2R)-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;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(1S,2S,3S)-N-[8-amino-7-fluoro-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135343616
(1R,2S,3R)-N-[8-amino-7-fluoro-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135342716
(1R,2R,3R)-N-[8-amino-7-fluoro-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135342978
(1S,2R,3S)-N-[8-amino-7-fluoro-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135343178
trans-(1R,2R)-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 135344559
N-(8-amino-6-(2-fluoro-6-methyl-4-(oxazol-2-yl)phenyl)-2,7-naphthyridin-3-yl)-2-methyl-3-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 139468745
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 135344726
(1S,2S)-N-(8-amino-6-(2-methyl-4-(oxazol-2-yl)phenyl)-2,7-naphthyridin-3-yl)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 135345244
(1S,2S,3S)-N-(8-amino-6-(2-fluoro-6-methyl-4-(oxazol-2-yl)phenyl)-2,7-naphthyridin-3-yl)-2-methyl-3-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 135344692
[7-Fluoro-3-[[2-methyl-3-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]isoquinolin-8-yl]carbamic acid
CID 135343354
N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135344804
(2R,3R)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)butanamide
CID 139469049

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(2S,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;trans-(1R,2R)-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;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of (2R,3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(2S,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;trans-(1R,2R)-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;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 158742078) is (2R,3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(2S,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;trans-(1R,2R)-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;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for (2R,3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(2S,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;trans-(1R,2R)-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;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for (2R,3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(2S,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;trans-(1R,2R)-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;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is Cc1cc(-c2ncco2)ncc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1cccc(-c2ccccc2)c1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)C3C[C@@]34CCNC(=O)C4)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@@]34CCNC(=O)C4)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@]34CCNC(=O)C4)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@]34CCNC(=O)C4)ncc2c(N)n1.
What is the InChIKey of (2R,3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(2S,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;trans-(1R,2R)-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;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is IMKONHBOBIWMRA-XFQCUCTQSA-N. The full InChI is InChI=1S/C29H26N6O.C25H22N8O2.4C23H23N5O2/c1-17-7-6-10-21(18-8-4-3-5-9-18)27(17)25-11-19-12-26(31-15-24(19)28(30)33-25)34-29(36)23-13-22(23)20-14-32-35(2)16-20;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;4*1-13-4-2-3-5-15(13)18-8-14-9-19(26-12-16(14)21(24)27-18)28-22(30)17-10-23(17)6-7-25-20(29)11-23/h3-12,14-16,22-23H,13H2,1-2H3,(H2,30,33)(H,31,34,36);3-7,9-12,16-17H,8H2,1-2H3,(H2,26,31)(H,29,32,34);4*2-5,8-9,12,17H,6-7,10-11H2,1H3,(H2,24,27)(H,25,29)(H,26,28,30)/t22-,23+;16-,17+;17?,23-;2*17-,23+;17-,23-/m101100/s1.
What are the key properties of (2R,3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(2S,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;trans-(1R,2R)-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;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
(2R,3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(2S,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;trans-(1R,2R)-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;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 2546.95 g/mol, XLogP of 21.21, 22 rotatable bonds, 16 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(2S,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;trans-(1R,2R)-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;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 158742078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).