6-ethoxy-2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine

C64H88N28O4 — CID 157333142

IUPAC6-ethoxy-2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine
SMILESCC(C)n1ccc2c1N=CCC2N.CC(C)n1cnc2c(N)ccnc21.CC(C)n1cnc2c1N=CCC2=O.CC(C)n1nnc2c(N)ccnc21.CCOc1nc(C)nc2c1ncn2C(C)C.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(nnn2C(C)C)c(=O)[nH]1
InChIInChI=1S/C11H16N4O.C10H15N3.C9H12N4O.C9H12N4.C9H11N3O.C8H11N5O.C8H11N5/c1-5-16-11-9-10(13-8(4)14-11)15(6-12-9)7(2)3;1-7(2)13-6-4-8-9(11)3-5-12-10(8)13;1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-6(2)12-5-11-8-7(13)3-4-10-9(8)12;1-4(2)13-7-6(11-12-13)8(14)10-5(3)9-7;1-5(2)13-8-7(11-12-13)6(9)3-4-10-8/h6-7H,5H2,1-4H3;4-7,9H,3,11H2,1-2H3;4-5H,1-3H3,(H,11,12,14);3-6H,1-2H3,(H2,10,11);4-6H,3H2,1-2H3;4H,1-3H3,(H,9,10,14);3-5H,1-2H3,(H2,9,10)
InChIKeyBFNFVTBLICQGHV-UHFFFAOYSA-N
MW1313.60 g/mol
LogP10.04
Rot. Bonds9

About 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine

6-ethoxy-2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine (PubChem CID 157333142) has the molecular formula C64H88N28O4 and a molecular weight of 1313.60 g/mol. Its IUPAC name is 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name6-ethoxy-2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine
PubChem CID157333142
Molecular FormulaC64H88N28O4
Molecular Weight1313.60 g/mol
Exact Mass1312.75
IUPAC Name6-ethoxy-2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine
SMILESCC(C)n1ccc2c1N=CCC2N.CC(C)n1cnc2c(N)ccnc21.CC(C)n1cnc2c1N=CCC2=O.CC(C)n1nnc2c(N)ccnc21.CCOc1nc(C)nc2c1ncn2C(C)C.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(nnn2C(C)C)c(=O)[nH]1
InChIInChI=1S/C11H16N4O.C10H15N3.C9H12N4O.C9H12N4.C9H11N3O.C8H11N5O.C8H11N5/c1-5-16-11-9-10(13-8(4)14-11)15(6-12-9)7(2)3;1-7(2)13-6-4-8-9(11)3-5-12-10(8)13;1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-6(2)12-5-11-8-7(13)3-4-10-9(8)12;1-4(2)13-7-6(11-12-13)8(14)10-5(3)9-7;1-5(2)13-8-7(11-12-13)6(9)3-4-10-8/h6-7H,5H2,1-4H3;4-7,9H,3,11H2,1-2H3;4-5H,1-3H3,(H,11,12,14);3-6H,1-2H3,(H2,10,11);4-6H,3H2,1-2H3;4H,1-3H3,(H,9,10,14);3-5H,1-2H3,(H2,9,10)
InChIKeyBFNFVTBLICQGHV-UHFFFAOYSA-N
XLogP10.04
TPSA409.77 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds9
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001313.60
LogP ≤ 510.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Analyze 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 53261962
N-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-yl)-7-(2-(4-methylpiperazin-1-yl)ethoxy)imidazo[1,2-a]pyridine-3-carboxamide
CID 53262025
N-(3-cyclopropyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-yl)-7-(2-(4-isopropylpiperazin-1-yl)ethoxy)imidazo[1,2-a]pyridine-3-carboxamide
CID 67259619
N-(3-cyclopropyl-1-((1-ethyl-1H-pyrazol-3-yl)methyl)-1H-indazol-4-yl)-7-(2-(4-isopropylpiperazin-1-yl)ethoxy)imidazo[1,2-a]pyridine-3-carboxamide
CID 67259888
N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 67259951
N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-pyrrolidin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide
CID 67260010
N-(3-ethyl-1-((1-methyl-1H-pyrazol-3-yl)methyl)-1H-indazol-4-yl)-7-(2-(4-methylpiperazin-1-yl)ethoxy)imidazo[1,2-a]pyridine-3-carboxamide
CID 67260125
N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-piperazin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide
CID 67260434
N-[3-ethyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-(2-pyrrolidin-1-ylethoxy)imidazo[1,2-a]pyridine-3-carboxamide
CID 67260886
N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(4-ethylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 67261006
N-(3-ethyl-1-((6-methylpyridin-2-yl)methyl)-1H-indazol-4-yl)-7-(2-(4-isopropylpiperazin-1-yl)ethoxy)imidazo[1,2-a]pyridine-3-carboxamide
CID 67261121
N-(3-cyclopropyl-1-((1-isopropyl-1H-pyrazol-3-yl)methyl)-1H-indazol-4-yl)-7-(2-(4-isopropylpiperazin-1-yl)ethoxy)imidazo[1,2-a]pyridine-3-carboxamide
CID 67261334

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine (CID 157333142) is 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine is CC(C)n1ccc2c1N=CCC2N.CC(C)n1cnc2c(N)ccnc21.CC(C)n1cnc2c1N=CCC2=O.CC(C)n1nnc2c(N)ccnc21.CCOc1nc(C)nc2c1ncn2C(C)C.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(nnn2C(C)C)c(=O)[nH]1.
What is the InChIKey of 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine?
The InChIKey is BFNFVTBLICQGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O.C10H15N3.C9H12N4O.C9H12N4.C9H11N3O.C8H11N5O.C8H11N5/c1-5-16-11-9-10(13-8(4)14-11)15(6-12-9)7(2)3;1-7(2)13-6-4-8-9(11)3-5-12-10(8)13;1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-6(2)12-5-11-8-7(13)3-4-10-9(8)12;1-4(2)13-7-6(11-12-13)8(14)10-5(3)9-7;1-5(2)13-8-7(11-12-13)6(9)3-4-10-8/h6-7H,5H2,1-4H3;4-7,9H,3,11H2,1-2H3;4-5H,1-3H3,(H,11,12,14);3-6H,1-2H3,(H2,10,11);4-6H,3H2,1-2H3;4H,1-3H3,(H,9,10,14);3-5H,1-2H3,(H2,9,10).
What are the key properties of 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine?
6-ethoxy-2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine has a molecular weight of 1313.60 g/mol, XLogP of 10.04, 9 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-yl-4,5-dihydropyrrolo[2,3-b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 157333142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).