3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;11-methylidene-6-propan-2-yl-1,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one;5-propan-2-ylimidazo[1,2-b]pyridazin-8-one;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-yl-5H-pyrrolo[2,1-b]purin-4-one;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;6-propan-2-yl-1,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,9,11-tetraen-2-one

C82H96FN25O7 — CID 163971887

IUPAC3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;11-methylidene-6-propan-2-yl-1,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one;5-propan-2-ylimidazo[1,2-b]pyridazin-8-one;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-yl-5H-pyrrolo[2,1-b]purin-4-one;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;6-propan-2-yl-1,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,9,11-tetraen-2-one
SMILESC=C1Cn2c(nc3c(ccn3C(C)C)c2=O)N1.CC(C)n1cc(F)c2c1N=CCC2=O.CC(C)n1ccc(=O)c2nccn21.CC(C)n1ccc2c(=O)n3ccnc3[nH]c21.CC(C)n1ccc2c(N)ccnc21.CC(C)n1ccc2c1N=CCC2=O.CC(C)n1cnc2c(=O)[nH]c3cccn3c21.CC(C)n1cnc2c1N=CCC2=O
InChIInChI=1S/C12H14N4O.2C11H12N4O.C10H11FN2O.C10H13N3.C10H12N2O.2C9H11N3O/c1-7(2)15-5-4-9-10(15)14-12-13-8(3)6-16(12)11(9)17;1-7(2)14-5-3-8-9(14)13-11-12-4-6-15(11)10(8)16;1-7(2)15-6-12-9-10(16)13-8-4-3-5-14(8)11(9)15;1-6(2)13-5-7(11)9-8(14)3-4-12-10(9)13;1-7(2)13-6-4-8-9(11)3-5-12-10(8)13;1-7(2)12-6-4-8-9(13)3-5-11-10(8)12;1-7(2)11-5-3-8(13)9-10-4-6-12(9)11;1-6(2)12-5-11-8-7(13)3-4-10-9(8)12/h4-5,7H,3,6H2,1-2H3,(H,13,14);3-7H,1-2H3,(H,12,13);3-7H,1-2H3,(H,13,16);4-6H,3H2,1-2H3;3-7H,1-2H3,(H2,11,12);4-7H,3H2,1-2H3;3-7H,1-2H3;4-6H,3H2,1-2H3
InChIKeySQRSTHIWXYISCH-UHFFFAOYSA-N
MW1562.84 g/mol
LogP14.72
Rot. Bonds8

About 3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;11-methylidene-6-propan-2-yl-1,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one;5-propan-2-ylimidazo[1,2-b]pyridazin-8-one;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-yl-5H-pyrrolo[2,1-b]purin-4-one;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;6-propan-2-yl-1,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,9,11-tetraen-2-one

3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;11-methylidene-6-propan-2-yl-1,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one;5-propan-2-ylimidazo[1,2-b]pyridazin-8-one;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-yl-5H-pyrrolo[2,1-b]purin-4-one;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;6-propan-2-yl-1,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,9,11-tetraen-2-one (PubChem CID 163971887) has the molecular formula C82H96FN25O7 and a molecular weight of 1562.84 g/mol. Its IUPAC name is 3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;11-methylidene-6-propan-2-yl-1,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one;5-propan-2-ylimidazo[1,2-b]pyridazin-8-one;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-yl-5H-pyrrolo[2,1-b]purin-4-one;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;6-propan-2-yl-1,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,9,11-tetraen-2-one.

Molecular Properties

Compound Name3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;11-methylidene-6-propan-2-yl-1,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one;5-propan-2-ylimidazo[1,2-b]pyridazin-8-one;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-yl-5H-pyrrolo[2,1-b]purin-4-one;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;6-propan-2-yl-1,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,9,11-tetraen-2-one
PubChem CID163971887
Molecular FormulaC82H96FN25O7
Molecular Weight1562.84 g/mol
Exact Mass1561.79
IUPAC Name3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;11-methylidene-6-propan-2-yl-1,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one;5-propan-2-ylimidazo[1,2-b]pyridazin-8-one;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-yl-5H-pyrrolo[2,1-b]purin-4-one;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;6-propan-2-yl-1,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,9,11-tetraen-2-one
SMILESC=C1Cn2c(nc3c(ccn3C(C)C)c2=O)N1.CC(C)n1cc(F)c2c1N=CCC2=O.CC(C)n1ccc(=O)c2nccn21.CC(C)n1ccc2c(=O)n3ccnc3[nH]c21.CC(C)n1ccc2c(N)ccnc21.CC(C)n1ccc2c1N=CCC2=O.CC(C)n1cnc2c(=O)[nH]c3cccn3c21.CC(C)n1cnc2c1N=CCC2=O
InChIInChI=1S/C12H14N4O.2C11H12N4O.C10H11FN2O.C10H13N3.C10H12N2O.2C9H11N3O/c1-7(2)15-5-4-9-10(15)14-12-13-8(3)6-16(12)11(9)17;1-7(2)14-5-3-8-9(14)13-11-12-4-6-15(11)10(8)16;1-7(2)15-6-12-9-10(16)13-8-4-3-5-14(8)11(9)15;1-6(2)13-5-7(11)9-8(14)3-4-12-10(9)13;1-7(2)13-6-4-8-9(11)3-5-12-10(8)13;1-7(2)12-6-4-8-9(13)3-5-11-10(8)12;1-7(2)11-5-3-8(13)9-10-4-6-12(9)11;1-6(2)12-5-11-8-7(13)3-4-10-9(8)12/h4-5,7H,3,6H2,1-2H3,(H,13,14);3-7H,1-2H3,(H,12,13);3-7H,1-2H3,(H,13,16);4-6H,3H2,1-2H3;3-7H,1-2H3,(H2,11,12);4-7H,3H2,1-2H3;3-7H,1-2H3;4-6H,3H2,1-2H3
InChIKeySQRSTHIWXYISCH-UHFFFAOYSA-N
XLogP14.72
TPSA361.14 Ų
H-Bond Donors4
H-Bond Acceptors30
Rotatable Bonds8
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001562.84
LogP ≤ 514.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1030

Analyze 3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;11-methylidene-6-propan-2-yl-1,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one;5-propan-2-ylimidazo[1,2-b]pyridazin-8-one;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-yl-5H-pyrrolo[2,1-b]purin-4-one;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;6-propan-2-yl-1,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,9,11-tetraen-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;11-methylidene-6-propan-2-yl-1,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one;5-propan-2-ylimidazo[1,2-b]pyridazin-8-one;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-yl-5H-pyrrolo[2,1-b]purin-4-one;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;6-propan-2-yl-1,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,9,11-tetraen-2-one?
The IUPAC name of 3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;11-methylidene-6-propan-2-yl-1,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one;5-propan-2-ylimidazo[1,2-b]pyridazin-8-one;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-yl-5H-pyrrolo[2,1-b]purin-4-one;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;6-propan-2-yl-1,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,9,11-tetraen-2-one (CID 163971887) is 3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;11-methylidene-6-propan-2-yl-1,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one;5-propan-2-ylimidazo[1,2-b]pyridazin-8-one;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-yl-5H-pyrrolo[2,1-b]purin-4-one;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;6-propan-2-yl-1,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,9,11-tetraen-2-one.
What is the SMILES notation for 3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;11-methylidene-6-propan-2-yl-1,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one;5-propan-2-ylimidazo[1,2-b]pyridazin-8-one;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-yl-5H-pyrrolo[2,1-b]purin-4-one;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;6-propan-2-yl-1,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,9,11-tetraen-2-one?
The canonical SMILES for 3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;11-methylidene-6-propan-2-yl-1,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one;5-propan-2-ylimidazo[1,2-b]pyridazin-8-one;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-yl-5H-pyrrolo[2,1-b]purin-4-one;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;6-propan-2-yl-1,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,9,11-tetraen-2-one is C=C1Cn2c(nc3c(ccn3C(C)C)c2=O)N1.CC(C)n1cc(F)c2c1N=CCC2=O.CC(C)n1ccc(=O)c2nccn21.CC(C)n1ccc2c(=O)n3ccnc3[nH]c21.CC(C)n1ccc2c(N)ccnc21.CC(C)n1ccc2c1N=CCC2=O.CC(C)n1cnc2c(=O)[nH]c3cccn3c21.CC(C)n1cnc2c1N=CCC2=O.
What is the InChIKey of 3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;11-methylidene-6-propan-2-yl-1,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one;5-propan-2-ylimidazo[1,2-b]pyridazin-8-one;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-yl-5H-pyrrolo[2,1-b]purin-4-one;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;6-propan-2-yl-1,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,9,11-tetraen-2-one?
The InChIKey is SQRSTHIWXYISCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O.2C11H12N4O.C10H11FN2O.C10H13N3.C10H12N2O.2C9H11N3O/c1-7(2)15-5-4-9-10(15)14-12-13-8(3)6-16(12)11(9)17;1-7(2)14-5-3-8-9(14)13-11-12-4-6-15(11)10(8)16;1-7(2)15-6-12-9-10(16)13-8-4-3-5-14(8)11(9)15;1-6(2)13-5-7(11)9-8(14)3-4-12-10(9)13;1-7(2)13-6-4-8-9(11)3-5-12-10(8)13;1-7(2)12-6-4-8-9(13)3-5-11-10(8)12;1-7(2)11-5-3-8(13)9-10-4-6-12(9)11;1-6(2)12-5-11-8-7(13)3-4-10-9(8)12/h4-5,7H,3,6H2,1-2H3,(H,13,14);3-7H,1-2H3,(H,12,13);3-7H,1-2H3,(H,13,16);4-6H,3H2,1-2H3;3-7H,1-2H3,(H2,11,12);4-7H,3H2,1-2H3;3-7H,1-2H3;4-6H,3H2,1-2H3.
What are the key properties of 3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;11-methylidene-6-propan-2-yl-1,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one;5-propan-2-ylimidazo[1,2-b]pyridazin-8-one;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-yl-5H-pyrrolo[2,1-b]purin-4-one;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;6-propan-2-yl-1,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,9,11-tetraen-2-one?
3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;11-methylidene-6-propan-2-yl-1,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one;5-propan-2-ylimidazo[1,2-b]pyridazin-8-one;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-yl-5H-pyrrolo[2,1-b]purin-4-one;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;6-propan-2-yl-1,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,9,11-tetraen-2-one has a molecular weight of 1562.84 g/mol, XLogP of 14.72, 8 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;11-methylidene-6-propan-2-yl-1,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one;5-propan-2-ylimidazo[1,2-b]pyridazin-8-one;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-yl-5H-pyrrolo[2,1-b]purin-4-one;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;1-propan-2-yl-5H-pyrrolo[2,3-b]pyridin-4-one;6-propan-2-yl-1,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,9,11-tetraen-2-one is sourced from PubChem (CID 163971887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).