6-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]pyridin-2-amine;3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;ethanol

C36H42N10O — CID 158376772

IUPAC6-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]pyridin-2-amine;3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;ethanol
SMILESCCO.Cc1ccc(C)n1-c1cccc(-c2cnc(N3CC4CC4C3)cn2)n1.Nc1cccc(-c2cnc(N3CC4CC4C3)cn2)n1
InChIInChI=1S/C20H21N5.C14H15N5.C2H6O/c1-13-6-7-14(2)25(13)19-5-3-4-17(23-19)18-9-22-20(10-21-18)24-11-15-8-16(15)12-24;15-13-3-1-2-11(18-13)12-5-17-14(6-16-12)19-7-9-4-10(9)8-19;1-2-3/h3-7,9-10,15-16H,8,11-12H2,1-2H3;1-3,5-6,9-10H,4,7-8H2,(H2,15,18);3H,2H2,1H3
InChIKeyGVHKLKKRPBKQFR-UHFFFAOYSA-N
MW630.80 g/mol
LogP4.98
Rot. Bonds5

About 6-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]pyridin-2-amine;3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;ethanol

6-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]pyridin-2-amine;3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;ethanol (PubChem CID 158376772) has the molecular formula C36H42N10O and a molecular weight of 630.80 g/mol. Its IUPAC name is 6-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]pyridin-2-amine;3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;ethanol.

Molecular Properties

Compound Name6-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]pyridin-2-amine;3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;ethanol
PubChem CID158376772
Molecular FormulaC36H42N10O
Molecular Weight630.80 g/mol
Exact Mass630.35
IUPAC Name6-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]pyridin-2-amine;3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;ethanol
SMILESCCO.Cc1ccc(C)n1-c1cccc(-c2cnc(N3CC4CC4C3)cn2)n1.Nc1cccc(-c2cnc(N3CC4CC4C3)cn2)n1
InChIInChI=1S/C20H21N5.C14H15N5.C2H6O/c1-13-6-7-14(2)25(13)19-5-3-4-17(23-19)18-9-22-20(10-21-18)24-11-15-8-16(15)12-24;15-13-3-1-2-11(18-13)12-5-17-14(6-16-12)19-7-9-4-10(9)8-19;1-2-3/h3-7,9-10,15-16H,8,11-12H2,1-2H3;1-3,5-6,9-10H,4,7-8H2,(H2,15,18);3H,2H2,1H3
InChIKeyGVHKLKKRPBKQFR-UHFFFAOYSA-N
XLogP4.98
TPSA135.00 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.80
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Analyze 6-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]pyridin-2-amine;3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;ethanol with MolForge

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Related Compounds

1-[4-(6-Amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol;bis(5-[2-(cyclopropylmethyl)-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);bis(5-[2-cyclopropyl-1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-4-yl]-3-methylpyridin-2-amine);1-[3-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-methylpiperazine;3-methyl-5-[1-[3-(4-methylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine
CID 157428003
N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-5-cyclopropylpyrazin-2-amine;N-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(3-methylmorpholin-4-yl)-2-pyridinyl]-5-cyclopropylpyrazin-2-amine
CID 172296668
5-cyclopropyl-N-[6-(3-ethyl-3-fluoropyrrolidin-1-yl)-4-(4-fluoropiperidin-1-yl)-2-pyridinyl]pyrazin-2-amine;1-[2-[(5-cyclopropylpyrazin-2-yl)amino]-6-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]piperidin-3-ol
CID 177318026
3-[Bis[2-[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]amino]ethyl]amino]propan-1-ol
CID 20665037
3-[5-[6-(2,5-Dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;methane;propane
CID 145049285
3-[5-[6-(2,5-Dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;ethane
CID 145049381
5-(4-Cyclopropylpiperazin-1-yl)-3-methyl-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;5-(4,7-diazaspiro[2.5]octan-7-yl)-3-methyl-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;3-methyl-5-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine
CID 145424740
2-[(2R,6S)-6-[4-[5-(4-cyclopropylpiperazin-1-yl)-3-methyl-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-7-yl]-3-methyl-2-pyridinyl]piperidin-2-yl]-5-(4,7-diazaspiro[2.5]octan-7-yl)-3-methyl-7-[5-methyl-6-[(2S,6R)-6-[3-methyl-5-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)imidazo[1,2-a]pyridin-2-yl]piperidin-2-yl]-3-pyridinyl]imidazo[1,2-a]pyridine
CID 156281612
2-[(3,5-diamino-2-pyridinyl)amino]ethyl-trimethylazanium;2-[3-[3-[(3,5-diamino-2-pyridinyl)amino]propyl]imidazol-3-ium-1-yl]ethanol;2-[(3,5-diamino-2-pyridinyl)-methylamino]ethyl-trimethylazanium;[1-(3,5-diamino-2-pyridinyl)pyrrolidin-3-yl]-trimethylazanium;2-[4-(1-methylpiperidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyridine-2,3,5-triamine
CID 157085374
1-butyl-4-methylpiperazine;N',N'-dimethylethane-1,2-diamine;N,N-dimethylpentan-1-amine;N,N-dimethyl-2-piperidin-1-ylethanamine;4-ethyl-1-methylpiperidine;N-ethylpentan-1-amine;1-ethylpiperidine;3-imidazol-1-ylpropan-1-amine;methane;1-methyl-2-propylpyrrolidine;2-piperidin-1-ylethanol;4-propylmorpholine;bis(1-propylpiperidine);2-propylpyridine;1-propylpyrrolidine;N,N',N'-trimethylethane-1,2-diamine
CID 157162605
2-[3-(3-methylimidazol-3-ium-1-yl)propyl]pyridine-3,5-diamine;2-[4-(4-methylmorpholin-4-ium-4-yl)butyl]pyridine-3,5-diamine;2-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]pyridine-2,3,5-triamine;2-[4-(1-methylpiperidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]pyridine-3,5-diamine;2-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]pyridine-3,5-diamine
CID 157178807
2,5-dimethylpyrazine;1-ethyl-4-(1H-pyrrol-2-yl)piperidine;2-(4-methylpiperidin-1-yl)pyridine;4-(4-methylpiperidin-1-yl)pyridine;4-methyl-1-prop-1-en-2-ylpiperidine;bis(2-methylpyridine);2-(3-methylpyrrolidin-1-yl)pyridine;N,N,4-trimethylpiperidine-1-carboxamide
CID 157268176

Frequently Asked Questions

What is the IUPAC name of 6-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]pyridin-2-amine;3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;ethanol?
The IUPAC name of 6-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]pyridin-2-amine;3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;ethanol (CID 158376772) is 6-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]pyridin-2-amine;3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;ethanol.
What is the SMILES notation for 6-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]pyridin-2-amine;3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;ethanol?
The canonical SMILES for 6-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]pyridin-2-amine;3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;ethanol is CCO.Cc1ccc(C)n1-c1cccc(-c2cnc(N3CC4CC4C3)cn2)n1.Nc1cccc(-c2cnc(N3CC4CC4C3)cn2)n1.
What is the InChIKey of 6-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]pyridin-2-amine;3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;ethanol?
The InChIKey is GVHKLKKRPBKQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5.C14H15N5.C2H6O/c1-13-6-7-14(2)25(13)19-5-3-4-17(23-19)18-9-22-20(10-21-18)24-11-15-8-16(15)12-24;15-13-3-1-2-11(18-13)12-5-17-14(6-16-12)19-7-9-4-10(9)8-19;1-2-3/h3-7,9-10,15-16H,8,11-12H2,1-2H3;1-3,5-6,9-10H,4,7-8H2,(H2,15,18);3H,2H2,1H3.
What are the key properties of 6-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]pyridin-2-amine;3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;ethanol?
6-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]pyridin-2-amine;3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;ethanol has a molecular weight of 630.80 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]pyridin-2-amine;3-[5-[6-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane;ethanol is sourced from PubChem (CID 158376772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).