1-acetyl-N-phenyl-2-propan-2-yl-2,3-dihydroindole-5-sulfonamide;1-acetyl-N-phenyl-3-propan-2-yl-2,3-dihydroindole-5-sulfonamide;3-acetyl-1-pyridin-2-yl-7H-imidazo[1,5-a]pyrazin-8-one;7-acetyl-5-pyridin-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;1-(4-amino-5-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-7-yl)ethanone;tris(2-methylpropane);1-[4-(propan-2-ylamino)-5-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-7-yl]ethanone

C102H119N25O12S2 — CID 160671852

IUPAC1-acetyl-N-phenyl-2-propan-2-yl-2,3-dihydroindole-5-sulfonamide;1-acetyl-N-phenyl-3-propan-2-yl-2,3-dihydroindole-5-sulfonamide;3-acetyl-1-pyridin-2-yl-7H-imidazo[1,5-a]pyrazin-8-one;7-acetyl-5-pyridin-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;1-(4-amino-5-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-7-yl)ethanone;tris(2-methylpropane);1-[4-(propan-2-ylamino)-5-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-7-yl]ethanone
SMILESCC(=O)N1CC(C(C)C)c2cc(S(=O)(=O)Nc3ccccc3)ccc21.CC(=O)N1c2ccc(S(=O)(=O)Nc3ccccc3)cc2CC1C(C)C.CC(=O)c1nc(-c2ccccn2)c2c(=O)[nH]ccn12.CC(=O)c1nc(-c2ccccn2)c2c(=O)[nH]cnn12.CC(=O)c1nc(-c2ccccn2)c2c(N)ncnn12.CC(=O)c1nc(-c2ccccn2)c2c(NC(C)C)ncnn12.CC(C)C.CC(C)C.CC(C)C
InChIInChI=1S/2C19H22N2O3S.C15H16N6O.C13H10N4O2.C12H10N6O.C12H9N5O2.3C4H10/c1-13(2)19-12-15-11-17(9-10-18(15)21(19)14(3)22)25(23,24)20-16-7-5-4-6-8-16;1-13(2)18-12-21(14(3)22)19-10-9-16(11-17(18)19)25(23,24)20-15-7-5-4-6-8-15;1-9(2)19-14-13-12(11-6-4-5-7-16-11)20-15(10(3)22)21(13)18-8-17-14;1-8(18)12-16-10(9-4-2-3-5-14-9)11-13(19)15-6-7-17(11)12;1-7(19)12-17-9(8-4-2-3-5-14-8)10-11(13)15-6-16-18(10)12;1-7(18)11-16-9(8-4-2-3-5-13-8)10-12(19)14-6-15-17(10)11;3*1-4(2)3/h4-11,13,19-20H,12H2,1-3H3;4-11,13,18,20H,12H2,1-3H3;4-9H,1-3H3,(H,17,18,19);2-7H,1H3,(H,15,19);2-6H,1H3,(H2,13,15,16);2-6H,1H3,(H,14,15,19);3*4H,1-3H3
InChIKeyRNAJDNRUCMKFEL-UHFFFAOYSA-N
MW1951.37 g/mol
LogP17.15
Rot. Bonds18

About 1-acetyl-N-phenyl-2-propan-2-yl-2,3-dihydroindole-5-sulfonamide;1-acetyl-N-phenyl-3-propan-2-yl-2,3-dihydroindole-5-sulfonamide;3-acetyl-1-pyridin-2-yl-7H-imidazo[1,5-a]pyrazin-8-one;7-acetyl-5-pyridin-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;1-(4-amino-5-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-7-yl)ethanone;tris(2-methylpropane);1-[4-(propan-2-ylamino)-5-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-7-yl]ethanone

1-acetyl-N-phenyl-2-propan-2-yl-2,3-dihydroindole-5-sulfonamide;1-acetyl-N-phenyl-3-propan-2-yl-2,3-dihydroindole-5-sulfonamide;3-acetyl-1-pyridin-2-yl-7H-imidazo[1,5-a]pyrazin-8-one;7-acetyl-5-pyridin-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;1-(4-amino-5-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-7-yl)ethanone;tris(2-methylpropane);1-[4-(propan-2-ylamino)-5-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-7-yl]ethanone (PubChem CID 160671852) has the molecular formula C102H119N25O12S2 and a molecular weight of 1951.37 g/mol. Its IUPAC name is 1-acetyl-N-phenyl-2-propan-2-yl-2,3-dihydroindole-5-sulfonamide;1-acetyl-N-phenyl-3-propan-2-yl-2,3-dihydroindole-5-sulfonamide;3-acetyl-1-pyridin-2-yl-7H-imidazo[1,5-a]pyrazin-8-one;7-acetyl-5-pyridin-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;1-(4-amino-5-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-7-yl)ethanone;tris(2-methylpropane);1-[4-(propan-2-ylamino)-5-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-7-yl]ethanone.

Molecular Properties

Compound Name1-acetyl-N-phenyl-2-propan-2-yl-2,3-dihydroindole-5-sulfonamide;1-acetyl-N-phenyl-3-propan-2-yl-2,3-dihydroindole-5-sulfonamide;3-acetyl-1-pyridin-2-yl-7H-imidazo[1,5-a]pyrazin-8-one;7-acetyl-5-pyridin-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;1-(4-amino-5-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-7-yl)ethanone;tris(2-methylpropane);1-[4-(propan-2-ylamino)-5-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-7-yl]ethanone
PubChem CID160671852
Molecular FormulaC102H119N25O12S2
Molecular Weight1951.37 g/mol
Exact Mass1949.89
IUPAC Name1-acetyl-N-phenyl-2-propan-2-yl-2,3-dihydroindole-5-sulfonamide;1-acetyl-N-phenyl-3-propan-2-yl-2,3-dihydroindole-5-sulfonamide;3-acetyl-1-pyridin-2-yl-7H-imidazo[1,5-a]pyrazin-8-one;7-acetyl-5-pyridin-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;1-(4-amino-5-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-7-yl)ethanone;tris(2-methylpropane);1-[4-(propan-2-ylamino)-5-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-7-yl]ethanone
SMILESCC(=O)N1CC(C(C)C)c2cc(S(=O)(=O)Nc3ccccc3)ccc21.CC(=O)N1c2ccc(S(=O)(=O)Nc3ccccc3)cc2CC1C(C)C.CC(=O)c1nc(-c2ccccn2)c2c(=O)[nH]ccn12.CC(=O)c1nc(-c2ccccn2)c2c(=O)[nH]cnn12.CC(=O)c1nc(-c2ccccn2)c2c(N)ncnn12.CC(=O)c1nc(-c2ccccn2)c2c(NC(C)C)ncnn12.CC(C)C.CC(C)C.CC(C)C
InChIInChI=1S/2C19H22N2O3S.C15H16N6O.C13H10N4O2.C12H10N6O.C12H9N5O2.3C4H10/c1-13(2)19-12-15-11-17(9-10-18(15)21(19)14(3)22)25(23,24)20-16-7-5-4-6-8-16;1-13(2)18-12-21(14(3)22)19-10-9-16(11-17(18)19)25(23,24)20-15-7-5-4-6-8-15;1-9(2)19-14-13-12(11-6-4-5-7-16-11)20-15(10(3)22)21(13)18-8-17-14;1-8(18)12-16-10(9-4-2-3-5-14-9)11-13(19)15-6-7-17(11)12;1-7(19)12-17-9(8-4-2-3-5-14-8)10-11(13)15-6-16-18(10)12;1-7(18)11-16-9(8-4-2-3-5-13-8)10-12(19)14-6-15-17(10)11;3*1-4(2)3/h4-11,13,19-20H,12H2,1-3H3;4-11,13,18,20H,12H2,1-3H3;4-9H,1-3H3,(H,17,18,19);2-7H,1H3,(H,15,19);2-6H,1H3,(H2,13,15,16);2-6H,1H3,(H,14,15,19);3*4H,1-3H3
InChIKeyRNAJDNRUCMKFEL-UHFFFAOYSA-N
XLogP17.15
TPSA490.22 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds18
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001951.37
LogP ≤ 517.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Analyze 1-acetyl-N-phenyl-2-propan-2-yl-2,3-dihydroindole-5-sulfonamide;1-acetyl-N-phenyl-3-propan-2-yl-2,3-dihydroindole-5-sulfonamide;3-acetyl-1-pyridin-2-yl-7H-imidazo[1,5-a]pyrazin-8-one;7-acetyl-5-pyridin-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;1-(4-amino-5-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-7-yl)ethanone;tris(2-methylpropane);1-[4-(propan-2-ylamino)-5-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-7-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-phenyl-2-propan-2-yl-2,3-dihydroindole-5-sulfonamide;1-acetyl-N-phenyl-3-propan-2-yl-2,3-dihydroindole-5-sulfonamide;3-acetyl-1-pyridin-2-yl-7H-imidazo[1,5-a]pyrazin-8-one;7-acetyl-5-pyridin-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;1-(4-amino-5-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-7-yl)ethanone;tris(2-methylpropane);1-[4-(propan-2-ylamino)-5-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-7-yl]ethanone?
The IUPAC name of 1-acetyl-N-phenyl-2-propan-2-yl-2,3-dihydroindole-5-sulfonamide;1-acetyl-N-phenyl-3-propan-2-yl-2,3-dihydroindole-5-sulfonamide;3-acetyl-1-pyridin-2-yl-7H-imidazo[1,5-a]pyrazin-8-one;7-acetyl-5-pyridin-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;1-(4-amino-5-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-7-yl)ethanone;tris(2-methylpropane);1-[4-(propan-2-ylamino)-5-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-7-yl]ethanone (CID 160671852) is 1-acetyl-N-phenyl-2-propan-2-yl-2,3-dihydroindole-5-sulfonamide;1-acetyl-N-phenyl-3-propan-2-yl-2,3-dihydroindole-5-sulfonamide;3-acetyl-1-pyridin-2-yl-7H-imidazo[1,5-a]pyrazin-8-one;7-acetyl-5-pyridin-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;1-(4-amino-5-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-7-yl)ethanone;tris(2-methylpropane);1-[4-(propan-2-ylamino)-5-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-7-yl]ethanone.
What is the SMILES notation for 1-acetyl-N-phenyl-2-propan-2-yl-2,3-dihydroindole-5-sulfonamide;1-acetyl-N-phenyl-3-propan-2-yl-2,3-dihydroindole-5-sulfonamide;3-acetyl-1-pyridin-2-yl-7H-imidazo[1,5-a]pyrazin-8-one;7-acetyl-5-pyridin-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;1-(4-amino-5-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-7-yl)ethanone;tris(2-methylpropane);1-[4-(propan-2-ylamino)-5-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-7-yl]ethanone?
The canonical SMILES for 1-acetyl-N-phenyl-2-propan-2-yl-2,3-dihydroindole-5-sulfonamide;1-acetyl-N-phenyl-3-propan-2-yl-2,3-dihydroindole-5-sulfonamide;3-acetyl-1-pyridin-2-yl-7H-imidazo[1,5-a]pyrazin-8-one;7-acetyl-5-pyridin-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;1-(4-amino-5-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-7-yl)ethanone;tris(2-methylpropane);1-[4-(propan-2-ylamino)-5-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-7-yl]ethanone is CC(=O)N1CC(C(C)C)c2cc(S(=O)(=O)Nc3ccccc3)ccc21.CC(=O)N1c2ccc(S(=O)(=O)Nc3ccccc3)cc2CC1C(C)C.CC(=O)c1nc(-c2ccccn2)c2c(=O)[nH]ccn12.CC(=O)c1nc(-c2ccccn2)c2c(=O)[nH]cnn12.CC(=O)c1nc(-c2ccccn2)c2c(N)ncnn12.CC(=O)c1nc(-c2ccccn2)c2c(NC(C)C)ncnn12.CC(C)C.CC(C)C.CC(C)C.
What is the InChIKey of 1-acetyl-N-phenyl-2-propan-2-yl-2,3-dihydroindole-5-sulfonamide;1-acetyl-N-phenyl-3-propan-2-yl-2,3-dihydroindole-5-sulfonamide;3-acetyl-1-pyridin-2-yl-7H-imidazo[1,5-a]pyrazin-8-one;7-acetyl-5-pyridin-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;1-(4-amino-5-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-7-yl)ethanone;tris(2-methylpropane);1-[4-(propan-2-ylamino)-5-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-7-yl]ethanone?
The InChIKey is RNAJDNRUCMKFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H22N2O3S.C15H16N6O.C13H10N4O2.C12H10N6O.C12H9N5O2.3C4H10/c1-13(2)19-12-15-11-17(9-10-18(15)21(19)14(3)22)25(23,24)20-16-7-5-4-6-8-16;1-13(2)18-12-21(14(3)22)19-10-9-16(11-17(18)19)25(23,24)20-15-7-5-4-6-8-15;1-9(2)19-14-13-12(11-6-4-5-7-16-11)20-15(10(3)22)21(13)18-8-17-14;1-8(18)12-16-10(9-4-2-3-5-14-9)11-13(19)15-6-7-17(11)12;1-7(19)12-17-9(8-4-2-3-5-14-8)10-11(13)15-6-16-18(10)12;1-7(18)11-16-9(8-4-2-3-5-13-8)10-12(19)14-6-15-17(10)11;3*1-4(2)3/h4-11,13,19-20H,12H2,1-3H3;4-11,13,18,20H,12H2,1-3H3;4-9H,1-3H3,(H,17,18,19);2-7H,1H3,(H,15,19);2-6H,1H3,(H2,13,15,16);2-6H,1H3,(H,14,15,19);3*4H,1-3H3.
What are the key properties of 1-acetyl-N-phenyl-2-propan-2-yl-2,3-dihydroindole-5-sulfonamide;1-acetyl-N-phenyl-3-propan-2-yl-2,3-dihydroindole-5-sulfonamide;3-acetyl-1-pyridin-2-yl-7H-imidazo[1,5-a]pyrazin-8-one;7-acetyl-5-pyridin-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;1-(4-amino-5-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-7-yl)ethanone;tris(2-methylpropane);1-[4-(propan-2-ylamino)-5-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-7-yl]ethanone?
1-acetyl-N-phenyl-2-propan-2-yl-2,3-dihydroindole-5-sulfonamide;1-acetyl-N-phenyl-3-propan-2-yl-2,3-dihydroindole-5-sulfonamide;3-acetyl-1-pyridin-2-yl-7H-imidazo[1,5-a]pyrazin-8-one;7-acetyl-5-pyridin-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;1-(4-amino-5-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-7-yl)ethanone;tris(2-methylpropane);1-[4-(propan-2-ylamino)-5-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-7-yl]ethanone has a molecular weight of 1951.37 g/mol, XLogP of 17.15, 18 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-phenyl-2-propan-2-yl-2,3-dihydroindole-5-sulfonamide;1-acetyl-N-phenyl-3-propan-2-yl-2,3-dihydroindole-5-sulfonamide;3-acetyl-1-pyridin-2-yl-7H-imidazo[1,5-a]pyrazin-8-one;7-acetyl-5-pyridin-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;1-(4-amino-5-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-7-yl)ethanone;tris(2-methylpropane);1-[4-(propan-2-ylamino)-5-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-7-yl]ethanone is sourced from PubChem (CID 160671852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).