N-benzyl-9-propan-2-ylpurin-6-amine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine

C71H91N27O3 — CID 157471277

IUPACN-benzyl-9-propan-2-ylpurin-6-amine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine
SMILESCC(C)n1ccc2c(N)ccnc21.CC(C)n1cnc2c(N)ccnc21.CC(C)n1cnc2c(NCc3ccccc3)ncnc21.CC(C)n1cnc2c1N=CCC2=O.CC(C)n1cnc2cncnc21.CCOc1nc(C)nc2c1ncn2C(C)C.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1
InChIInChI=1S/C15H17N5.C11H16N4O.C10H13N3.C9H12N4O.C9H12N4.C9H11N3O.C8H10N4/c1-11(2)20-10-19-13-14(17-9-18-15(13)20)16-8-12-6-4-3-5-7-12;1-5-16-11-9-10(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;1-6(2)12-5-11-7-3-9-4-10-8(7)12/h3-7,9-11H,8H2,1-2H3,(H,16,17,18);6-7H,5H2,1-4H3;3-7H,1-2H3,(H2,11,12);4-5H,1-3H3,(H,11,12,14);3-6H,1-2H3,(H2,10,11);4-6H,3H2,1-2H3;3-6H,1-2H3
InChIKeyBVBKGPGBLLXWMQ-UHFFFAOYSA-N
MW1370.69 g/mol
LogP13.10
Rot. Bonds12

About N-benzyl-9-propan-2-ylpurin-6-amine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine

N-benzyl-9-propan-2-ylpurin-6-amine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine (PubChem CID 157471277) has the molecular formula C71H91N27O3 and a molecular weight of 1370.69 g/mol. Its IUPAC name is N-benzyl-9-propan-2-ylpurin-6-amine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-benzyl-9-propan-2-ylpurin-6-amine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine
PubChem CID157471277
Molecular FormulaC71H91N27O3
Molecular Weight1370.69 g/mol
Exact Mass1369.78
IUPAC NameN-benzyl-9-propan-2-ylpurin-6-amine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine
SMILESCC(C)n1ccc2c(N)ccnc21.CC(C)n1cnc2c(N)ccnc21.CC(C)n1cnc2c(NCc3ccccc3)ncnc21.CC(C)n1cnc2c1N=CCC2=O.CC(C)n1cnc2cncnc21.CCOc1nc(C)nc2c1ncn2C(C)C.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1
InChIInChI=1S/C15H17N5.C11H16N4O.C10H13N3.C9H12N4O.C9H12N4.C9H11N3O.C8H10N4/c1-11(2)20-10-19-13-14(17-9-18-15(13)20)16-8-12-6-4-3-5-7-12;1-5-16-11-9-10(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;1-6(2)12-5-11-7-3-9-4-10-8(7)12/h3-7,9-11H,8H2,1-2H3,(H,16,17,18);6-7H,5H2,1-4H3;3-7H,1-2H3,(H2,11,12);4-5H,1-3H3,(H,11,12,14);3-6H,1-2H3,(H2,10,11);4-6H,3H2,1-2H3;3-6H,1-2H3
InChIKeyBVBKGPGBLLXWMQ-UHFFFAOYSA-N
XLogP13.10
TPSA363.45 Ų
H-Bond Donors4
H-Bond Acceptors29
Rotatable Bonds12
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001370.69
LogP ≤ 513.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1029

Analyze N-benzyl-9-propan-2-ylpurin-6-amine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-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-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-[(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-ethyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 68333292
(S)-1-(3-((9-methyl-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)-9H-purin-6-yl)oxy)pyrrolidin-1-yl)propan-1-one
CID 90166871
N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-1-[[6-[[3-ethyl-4-[[7-(morpholin-2-ylmethoxy)imidazo[1,2-a]pyridine-3-carbonyl]amino]indazol-1-yl]methyl]-2-pyridinyl]methyl]-7-[2-(3-fluoropyrrolidin-1-yl)ethoxy]imidazo[1,2-a]pyridin-1-ium-3-carboxamide
CID 123604695
2-amino-N-[4-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-phenyl-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(4-propylpiperazin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 160371220
2-amino-N-[4-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methyl-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-phenyl-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 161356948
2-amino-N-[4-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-[2-(dimethylamino)ethoxy]-N-(4-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-phenyl-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 162044128
2-amino-5-[4-(dimethylamino)piperidin-1-yl]-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-[3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-(4-methylpiperazin-1-yl)-N-(4-propan-2-yloxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methyl-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 162133841
N-[2-[2-[6-[(2-ethyl-4-piperazin-1-ylpyrazolo[4,3-c]pyridine-7-carbonyl)amino]-8-fluoroimidazo[1,2-a]pyridin-2-yl]ethyl]-8-fluoro-7-methoxyimidazo[1,2-a]pyridin-6-yl]-2-[2-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl]ethyl]-8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
CID 167500963

Frequently Asked Questions

What is the IUPAC name of N-benzyl-9-propan-2-ylpurin-6-amine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of N-benzyl-9-propan-2-ylpurin-6-amine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine (CID 157471277) is N-benzyl-9-propan-2-ylpurin-6-amine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-benzyl-9-propan-2-ylpurin-6-amine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for N-benzyl-9-propan-2-ylpurin-6-amine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine is CC(C)n1ccc2c(N)ccnc21.CC(C)n1cnc2c(N)ccnc21.CC(C)n1cnc2c(NCc3ccccc3)ncnc21.CC(C)n1cnc2c1N=CCC2=O.CC(C)n1cnc2cncnc21.CCOc1nc(C)nc2c1ncn2C(C)C.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.
What is the InChIKey of N-benzyl-9-propan-2-ylpurin-6-amine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is BVBKGPGBLLXWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5.C11H16N4O.C10H13N3.C9H12N4O.C9H12N4.C9H11N3O.C8H10N4/c1-11(2)20-10-19-13-14(17-9-18-15(13)20)16-8-12-6-4-3-5-7-12;1-5-16-11-9-10(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;1-6(2)12-5-11-7-3-9-4-10-8(7)12/h3-7,9-11H,8H2,1-2H3,(H,16,17,18);6-7H,5H2,1-4H3;3-7H,1-2H3,(H2,11,12);4-5H,1-3H3,(H,11,12,14);3-6H,1-2H3,(H2,10,11);4-6H,3H2,1-2H3;3-6H,1-2H3.
What are the key properties of N-benzyl-9-propan-2-ylpurin-6-amine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine?
N-benzyl-9-propan-2-ylpurin-6-amine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 1370.69 g/mol, XLogP of 13.10, 12 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-9-propan-2-ylpurin-6-amine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine;1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 157471277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).