3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;tris(1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one);(1-methylpyrrolidin-2-yl)methanamine

C91H101N29O9 — CID 158371763

IUPAC3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;tris(1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one);(1-methylpyrrolidin-2-yl)methanamine
SMILESCN1CCCC1CN.Cc1cnc2ccc(-c3nc(C(=O)CCC4CCCN4C)c(N)nc3-c3ncco3)cn12.Cc1cnc2ccc(-c3nc(C(=O)CCC4CCCN4C)c(N)nc3-c3ncco3)cn12.Cc1cnc2ccc(-c3nc(C(=O)CCC4CCCN4C)c(N)nc3-c3ncco3)cn12.Cc1cnc2ccc(-c3nc(C(=O)O)c(N)nc3-c3ncco3)cn12
InChIInChI=1S/3C23H25N7O2.C16H12N6O3.C6H14N2/c3*1-14-12-26-18-8-5-15(13-30(14)18)19-21(23-25-9-11-32-23)28-22(24)20(27-19)17(31)7-6-16-4-3-10-29(16)2;1-8-6-19-10-3-2-9(7-22(8)10)11-12(15-18-4-5-25-15)21-14(17)13(20-11)16(23)24;1-8-4-2-3-6(8)5-7/h3*5,8-9,11-13,16H,3-4,6-7,10H2,1-2H3,(H2,24,28);2-7H,1H3,(H2,17,21)(H,23,24);6H,2-5,7H2,1H3
InChIKeyGURTYTIERMMRKX-UHFFFAOYSA-N
MW1745.00 g/mol
LogP12.26
Rot. Bonds22

About 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;tris(1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one);(1-methylpyrrolidin-2-yl)methanamine

3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;tris(1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one);(1-methylpyrrolidin-2-yl)methanamine (PubChem CID 158371763) has the molecular formula C91H101N29O9 and a molecular weight of 1745.00 g/mol. Its IUPAC name is 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;tris(1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one);(1-methylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound Name3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;tris(1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one);(1-methylpyrrolidin-2-yl)methanamine
PubChem CID158371763
Molecular FormulaC91H101N29O9
Molecular Weight1745.00 g/mol
Exact Mass1743.83
IUPAC Name3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;tris(1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one);(1-methylpyrrolidin-2-yl)methanamine
SMILESCN1CCCC1CN.Cc1cnc2ccc(-c3nc(C(=O)CCC4CCCN4C)c(N)nc3-c3ncco3)cn12.Cc1cnc2ccc(-c3nc(C(=O)CCC4CCCN4C)c(N)nc3-c3ncco3)cn12.Cc1cnc2ccc(-c3nc(C(=O)CCC4CCCN4C)c(N)nc3-c3ncco3)cn12.Cc1cnc2ccc(-c3nc(C(=O)O)c(N)nc3-c3ncco3)cn12
InChIInChI=1S/3C23H25N7O2.C16H12N6O3.C6H14N2/c3*1-14-12-26-18-8-5-15(13-30(14)18)19-21(23-25-9-11-32-23)28-22(24)20(27-19)17(31)7-6-16-4-3-10-29(16)2;1-8-6-19-10-3-2-9(7-22(8)10)11-12(15-18-4-5-25-15)21-14(17)13(20-11)16(23)24;1-8-4-2-3-6(8)5-7/h3*5,8-9,11-13,16H,3-4,6-7,10H2,1-2H3,(H2,24,28);2-7H,1H3,(H2,17,21)(H,23,24);6H,2-5,7H2,1H3
InChIKeyGURTYTIERMMRKX-UHFFFAOYSA-N
XLogP12.26
TPSA508.01 Ų
H-Bond Donors6
H-Bond Acceptors37
Rotatable Bonds22
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001745.00
LogP ≤ 512.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1037

Analyze 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;tris(1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one);(1-methylpyrrolidin-2-yl)methanamine with MolForge

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Related Compounds

3-amino-N-((3-fluoropyridin-2-yl) methyl)-6-(imidazo[1,2-a]pyridin-6-yl)-5-(oxazol-2-yl)pyrazine-2-carboxamide
CID 146386431
3-amino-N-((3-fluoropyridin-2-yl) methyl)-6-(3-methylimidazo[1,2-a] pyridin-6-yl)-5-(oxazol-2-yl)pyrazine-2-carboxamide
CID 146386512
(S)-3-amino-6-(3-methylimidazo[1,2-a] pyridin-6-yl)-5-(oxazol-2-yl)-N-((tetrahydrofuran-3-yl)methyl)pyrazine-2-carboxamide
CID 146380231
(R)-3-amino-6-(3-methylimidazo[1,2-a] pyridin-6-yl)-5-(oxazol-2-yl)-N-((tetrahydrofuran-2-yl)methyl)pyrazine-2-carboxamide
CID 146380245
(R)-3-amino-6-(3-methylimidazo[1,2-a] pyridin-6-yl)-5-(oxazol-2-yl)-N-((tetrahydrofuran-3-yl)methyl)pyrazine-2-carboxamide
CID 146380272
3-amino-6-(3-methylimidazo[1,2-a] pyridin-6-yl)-5-(oxazol-2-yl)-N-(oxetan-2-ylmethyl)pyrazine-2-carboxamide (isomer 1)
CID 146380362
(S)-3-amino-6-(3-methylimidazo[1,2-a] pyridin-6-yl)-5-(oxazol-2-yl)-N-((tetrahydrofuran-2-yl)methyl)pyrazine-2-carboxamide
CID 146380591
3-amino-N-isopropyl-6-(3-methyl-imidazo[1,2-a]pyridin-6-yl)-5-(oxazol-2-yl)pyrazine-2-carboxamide
CID 146386424
3-amino-N-cyclobutyl-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(oxazol-2-yl)pyrazine-2-carboxamide
CID 146386436
3-amino-N-(2-methoxyethyl)-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(oxazol-2-yl)pyrazine-2-carboxamide
CID 146386451
3-amino-N-((6-aminopyridin-2-yl) methyl)-6-(imidazo[1,2-a]pyridin-6-yl)-5-(oxazol-2-yl)pyrazine-2-carboxamide
CID 146386538
3-amino-6-(3-methylimidazo[1,2-a] pyridin-6-yl)-N-((1-methylpyrrolidin-2-yl) methyl)-5-(oxazol-2-yl)pyrazine-2-carboxamide (isomer 1)
CID 155209161

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;tris(1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one);(1-methylpyrrolidin-2-yl)methanamine?
The IUPAC name of 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;tris(1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one);(1-methylpyrrolidin-2-yl)methanamine (CID 158371763) is 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;tris(1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one);(1-methylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;tris(1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one);(1-methylpyrrolidin-2-yl)methanamine?
The canonical SMILES for 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;tris(1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one);(1-methylpyrrolidin-2-yl)methanamine is CN1CCCC1CN.Cc1cnc2ccc(-c3nc(C(=O)CCC4CCCN4C)c(N)nc3-c3ncco3)cn12.Cc1cnc2ccc(-c3nc(C(=O)CCC4CCCN4C)c(N)nc3-c3ncco3)cn12.Cc1cnc2ccc(-c3nc(C(=O)CCC4CCCN4C)c(N)nc3-c3ncco3)cn12.Cc1cnc2ccc(-c3nc(C(=O)O)c(N)nc3-c3ncco3)cn12.
What is the InChIKey of 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;tris(1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one);(1-methylpyrrolidin-2-yl)methanamine?
The InChIKey is GURTYTIERMMRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C23H25N7O2.C16H12N6O3.C6H14N2/c3*1-14-12-26-18-8-5-15(13-30(14)18)19-21(23-25-9-11-32-23)28-22(24)20(27-19)17(31)7-6-16-4-3-10-29(16)2;1-8-6-19-10-3-2-9(7-22(8)10)11-12(15-18-4-5-25-15)21-14(17)13(20-11)16(23)24;1-8-4-2-3-6(8)5-7/h3*5,8-9,11-13,16H,3-4,6-7,10H2,1-2H3,(H2,24,28);2-7H,1H3,(H2,17,21)(H,23,24);6H,2-5,7H2,1H3.
What are the key properties of 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;tris(1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one);(1-methylpyrrolidin-2-yl)methanamine?
3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;tris(1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one);(1-methylpyrrolidin-2-yl)methanamine has a molecular weight of 1745.00 g/mol, XLogP of 12.26, 22 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;tris(1-[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-1-one);(1-methylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 158371763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).