(3R)-3-(aminomethyl)-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide;tert-butyl N-[[(3R)-1-oxo-7-(pyridin-3-ylcarbamoyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-3-yl]methyl]carbamate;(3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylic acid;pyridin-3-amine

C64H69N15O11 — CID 158129615

IUPAC(3R)-3-(aminomethyl)-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide;tert-butyl N-[[(3R)-1-oxo-7-(pyridin-3-ylcarbamoyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-3-yl]methyl]carbamate;(3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylic acid;pyridin-3-amine
SMILESCC(C)(C)OC(=O)NC[C@@H]1Cn2c(cc3ccc(C(=O)Nc4cccnc4)cc32)C(=O)N1.CC(C)(C)OC(=O)NC[C@@H]1Cn2c(cc3ccc(C(=O)O)cc32)C(=O)N1.NC[C@@H]1Cn2c(cc3ccc(C(=O)Nc4cccnc4)cc32)C(=O)N1.Nc1cccnc1
InChIInChI=1S/C23H25N5O4.C18H17N5O2.C18H21N3O5.C5H6N2/c1-23(2,3)32-22(31)25-12-17-13-28-18-10-15(20(29)26-16-5-4-8-24-11-16)7-6-14(18)9-19(28)21(30)27-17;19-8-14-10-23-15-7-12(17(24)21-13-2-1-5-20-9-13)4-3-11(15)6-16(23)18(25)22-14;1-18(2,3)26-17(25)19-8-12-9-21-13-7-11(16(23)24)5-4-10(13)6-14(21)15(22)20-12;6-5-2-1-3-7-4-5/h4-11,17H,12-13H2,1-3H3,(H,25,31)(H,26,29)(H,27,30);1-7,9,14H,8,10,19H2,(H,21,24)(H,22,25);4-7,12H,8-9H2,1-3H3,(H,19,25)(H,20,22)(H,23,24);1-4H,6H2/t17-;14-;12-;/m111./s1
InChIKeyFSPMAFSLUZHOAF-HKCWGKFKSA-N
MW1224.35 g/mol
LogP6.92
Rot. Bonds10

About (3R)-3-(aminomethyl)-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide;tert-butyl N-[[(3R)-1-oxo-7-(pyridin-3-ylcarbamoyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-3-yl]methyl]carbamate;(3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylic acid;pyridin-3-amine

(3R)-3-(aminomethyl)-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide;tert-butyl N-[[(3R)-1-oxo-7-(pyridin-3-ylcarbamoyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-3-yl]methyl]carbamate;(3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylic acid;pyridin-3-amine (PubChem CID 158129615) has the molecular formula C64H69N15O11 and a molecular weight of 1224.35 g/mol. Its IUPAC name is (3R)-3-(aminomethyl)-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide;tert-butyl N-[[(3R)-1-oxo-7-(pyridin-3-ylcarbamoyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-3-yl]methyl]carbamate;(3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylic acid;pyridin-3-amine.

Molecular Properties

Compound Name(3R)-3-(aminomethyl)-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide;tert-butyl N-[[(3R)-1-oxo-7-(pyridin-3-ylcarbamoyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-3-yl]methyl]carbamate;(3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylic acid;pyridin-3-amine
PubChem CID158129615
Molecular FormulaC64H69N15O11
Molecular Weight1224.35 g/mol
Exact Mass1223.53
IUPAC Name(3R)-3-(aminomethyl)-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide;tert-butyl N-[[(3R)-1-oxo-7-(pyridin-3-ylcarbamoyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-3-yl]methyl]carbamate;(3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylic acid;pyridin-3-amine
SMILESCC(C)(C)OC(=O)NC[C@@H]1Cn2c(cc3ccc(C(=O)Nc4cccnc4)cc32)C(=O)N1.CC(C)(C)OC(=O)NC[C@@H]1Cn2c(cc3ccc(C(=O)O)cc32)C(=O)N1.NC[C@@H]1Cn2c(cc3ccc(C(=O)Nc4cccnc4)cc32)C(=O)N1.Nc1cccnc1
InChIInChI=1S/C23H25N5O4.C18H17N5O2.C18H21N3O5.C5H6N2/c1-23(2,3)32-22(31)25-12-17-13-28-18-10-15(20(29)26-16-5-4-8-24-11-16)7-6-14(18)9-19(28)21(30)27-17;19-8-14-10-23-15-7-12(17(24)21-13-2-1-5-20-9-13)4-3-11(15)6-16(23)18(25)22-14;1-18(2,3)26-17(25)19-8-12-9-21-13-7-11(16(23)24)5-4-10(13)6-14(21)15(22)20-12;6-5-2-1-3-7-4-5/h4-11,17H,12-13H2,1-3H3,(H,25,31)(H,26,29)(H,27,30);1-7,9,14H,8,10,19H2,(H,21,24)(H,22,25);4-7,12H,8-9H2,1-3H3,(H,19,25)(H,20,22)(H,23,24);1-4H,6H2/t17-;14-;12-;/m111./s1
InChIKeyFSPMAFSLUZHOAF-HKCWGKFKSA-N
XLogP6.92
TPSA364.96 Ų
H-Bond Donors10
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001224.35
LogP ≤ 56.92
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1018

Analyze (3R)-3-(aminomethyl)-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide;tert-butyl N-[[(3R)-1-oxo-7-(pyridin-3-ylcarbamoyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-3-yl]methyl]carbamate;(3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylic acid;pyridin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

3-Cyclohexyl-1-[2-oxo-2-(4-pyrrolidin-1-yl-1-piperidyl)ethyl]-2-pyrazin-2-yl-indole-6-carboxylic acid
CID 10006732
5-[[(3S)-3-[[3-cyclohexyl-1-methyl-2-(2-pyridyl)indole-6-carbonyl]amino]piperidine-3-carbonyl]amino]-1-methyl-indole-2-carboxylic acid
CID 54582740
3-Cyclohexyl-1-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-2-pyridin-2-ylindole-6-carboxylic acid
CID 46232753
N-(4-acetylphenyl)-2,5-dimethyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide;1-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-[1-[2-(dimethylamino)-2-oxoethyl]pyrrol-3-yl]indole-6-carboxylic acid;1-[2-(dimethylamino)ethyl]-N-(2-fluoro-4-methylphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 158162396
4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluorobenzoic acid;3-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-7H-1,7-naphthyridin-8-one;(4,4-difluoropiperidin-1-yl)-[5-(1-oxidoquinolin-1-ium-6-yl)naphthalen-2-yl]methanone;6-methyl-3-[6-[(3S)-3-methylpiperidine-1-carbonyl]naphthalen-1-yl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-methyl-5-[7-(piperidine-1-carbonyl)isoquinolin-4-yl]-3H-isoindol-1-one;2-methyl-5-[2-(piperidine-1-carbonyl)quinolin-5-yl]-3H-isoindol-1-one
CID 163564158
3-Cyclohexyl-1-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-2-pyridin-4-ylindole-6-carboxylic acid
CID 11249306
15-[(3R)-3-acetamidopyrrolidine-1-carbonyl]-3-cyclohexyl-16-[[ethyl(methyl)amino]methyl]-10,14-diazapentacyclo[12.6.1.02,10.04,9.017,21]henicosa-1(20),2,4(9),5,7,15,17(21),18-octaene-7-carboxylic acid
CID 57812035
4-[6-[(1S,4S)-5-[(2S)-2-[2-(1H-indol-2-yl)-2-oxoethyl]-3,3-dimethylbutanoyl]-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]-3-pyridinyl]benzoic acid
CID 58286520
1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-3-cyclohexyl-2-pyridin-3-ylindole-6-carboxylic acid
CID 58923447
1-[2-[(1-Acetylpyrrolidin-2-yl)methylamino]-2-oxoethyl]-3-cyclohexyl-2-pyridin-4-ylindole-6-carboxylic acid
CID 58923464
4-[6-[(1S,4S)-5-[(2S)-2-(1H-indole-2-carbonylamino)-3,3-dimethylbutanoyl]-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]-3-pyridinyl]benzoic acid
CID 67072388
N-[(2S)-1-[(1S,4S)-5-[5-[4-(2-hydroxypropan-2-yl)phenyl]pyridine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 67072408

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(aminomethyl)-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide;tert-butyl N-[[(3R)-1-oxo-7-(pyridin-3-ylcarbamoyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-3-yl]methyl]carbamate;(3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylic acid;pyridin-3-amine?
The IUPAC name of (3R)-3-(aminomethyl)-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide;tert-butyl N-[[(3R)-1-oxo-7-(pyridin-3-ylcarbamoyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-3-yl]methyl]carbamate;(3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylic acid;pyridin-3-amine (CID 158129615) is (3R)-3-(aminomethyl)-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide;tert-butyl N-[[(3R)-1-oxo-7-(pyridin-3-ylcarbamoyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-3-yl]methyl]carbamate;(3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylic acid;pyridin-3-amine.
What is the SMILES notation for (3R)-3-(aminomethyl)-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide;tert-butyl N-[[(3R)-1-oxo-7-(pyridin-3-ylcarbamoyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-3-yl]methyl]carbamate;(3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylic acid;pyridin-3-amine?
The canonical SMILES for (3R)-3-(aminomethyl)-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide;tert-butyl N-[[(3R)-1-oxo-7-(pyridin-3-ylcarbamoyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-3-yl]methyl]carbamate;(3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylic acid;pyridin-3-amine is CC(C)(C)OC(=O)NC[C@@H]1Cn2c(cc3ccc(C(=O)Nc4cccnc4)cc32)C(=O)N1.CC(C)(C)OC(=O)NC[C@@H]1Cn2c(cc3ccc(C(=O)O)cc32)C(=O)N1.NC[C@@H]1Cn2c(cc3ccc(C(=O)Nc4cccnc4)cc32)C(=O)N1.Nc1cccnc1.
What is the InChIKey of (3R)-3-(aminomethyl)-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide;tert-butyl N-[[(3R)-1-oxo-7-(pyridin-3-ylcarbamoyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-3-yl]methyl]carbamate;(3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylic acid;pyridin-3-amine?
The InChIKey is FSPMAFSLUZHOAF-HKCWGKFKSA-N. The full InChI is InChI=1S/C23H25N5O4.C18H17N5O2.C18H21N3O5.C5H6N2/c1-23(2,3)32-22(31)25-12-17-13-28-18-10-15(20(29)26-16-5-4-8-24-11-16)7-6-14(18)9-19(28)21(30)27-17;19-8-14-10-23-15-7-12(17(24)21-13-2-1-5-20-9-13)4-3-11(15)6-16(23)18(25)22-14;1-18(2,3)26-17(25)19-8-12-9-21-13-7-11(16(23)24)5-4-10(13)6-14(21)15(22)20-12;6-5-2-1-3-7-4-5/h4-11,17H,12-13H2,1-3H3,(H,25,31)(H,26,29)(H,27,30);1-7,9,14H,8,10,19H2,(H,21,24)(H,22,25);4-7,12H,8-9H2,1-3H3,(H,19,25)(H,20,22)(H,23,24);1-4H,6H2/t17-;14-;12-;/m111./s1.
What are the key properties of (3R)-3-(aminomethyl)-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide;tert-butyl N-[[(3R)-1-oxo-7-(pyridin-3-ylcarbamoyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-3-yl]methyl]carbamate;(3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylic acid;pyridin-3-amine?
(3R)-3-(aminomethyl)-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide;tert-butyl N-[[(3R)-1-oxo-7-(pyridin-3-ylcarbamoyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-3-yl]methyl]carbamate;(3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylic acid;pyridin-3-amine has a molecular weight of 1224.35 g/mol, XLogP of 6.92, 10 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(aminomethyl)-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide;tert-butyl N-[[(3R)-1-oxo-7-(pyridin-3-ylcarbamoyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-3-yl]methyl]carbamate;(3R)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxylic acid;pyridin-3-amine is sourced from PubChem (CID 158129615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).