1,7-dimethylimidazo[4,5-c]pyridin-4-amine;2,9-dimethylpurin-6-amine;8,9-dimethylpurin-6-amine;1-ethyl-4,5-dimethylpyrazolo[3,4-b]pyridine;1-methoxy-2,4-dimethylbenzene

C41H53N17O — CID 157470399

IUPAC1,7-dimethylimidazo[4,5-c]pyridin-4-amine;2,9-dimethylpurin-6-amine;8,9-dimethylpurin-6-amine;1-ethyl-4,5-dimethylpyrazolo[3,4-b]pyridine;1-methoxy-2,4-dimethylbenzene
SMILESCCn1ncc2c(C)c(C)cnc21.COc1ccc(C)cc1C.Cc1cnc(N)c2ncn(C)c12.Cc1nc(N)c2ncn(C)c2n1.Cc1nc2c(N)ncnc2n1C
InChIInChI=1S/C10H13N3.C9H12O.C8H10N4.2C7H9N5/c1-4-13-10-9(6-12-13)8(3)7(2)5-11-10;1-7-4-5-9(10-3)8(2)6-7;1-5-3-10-8(9)6-7(5)12(2)4-11-6;1-4-11-5-6(8)9-3-10-7(5)12(4)2;1-4-10-6(8)5-7(11-4)12(2)3-9-5/h5-6H,4H2,1-3H3;4-6H,1-3H3;3-4H,1-2H3,(H2,9,10);3H,1-2H3,(H2,8,9,10);3H,1-2H3,(H2,8,10,11)
InChIKeyBUYUBTQEEBFTNG-UHFFFAOYSA-N
MW799.99 g/mol
LogP5.75
Rot. Bonds2

About 1,7-dimethylimidazo[4,5-c]pyridin-4-amine;2,9-dimethylpurin-6-amine;8,9-dimethylpurin-6-amine;1-ethyl-4,5-dimethylpyrazolo[3,4-b]pyridine;1-methoxy-2,4-dimethylbenzene

1,7-dimethylimidazo[4,5-c]pyridin-4-amine;2,9-dimethylpurin-6-amine;8,9-dimethylpurin-6-amine;1-ethyl-4,5-dimethylpyrazolo[3,4-b]pyridine;1-methoxy-2,4-dimethylbenzene (PubChem CID 157470399) has the molecular formula C41H53N17O and a molecular weight of 799.99 g/mol. Its IUPAC name is 1,7-dimethylimidazo[4,5-c]pyridin-4-amine;2,9-dimethylpurin-6-amine;8,9-dimethylpurin-6-amine;1-ethyl-4,5-dimethylpyrazolo[3,4-b]pyridine;1-methoxy-2,4-dimethylbenzene.

Molecular Properties

Compound Name1,7-dimethylimidazo[4,5-c]pyridin-4-amine;2,9-dimethylpurin-6-amine;8,9-dimethylpurin-6-amine;1-ethyl-4,5-dimethylpyrazolo[3,4-b]pyridine;1-methoxy-2,4-dimethylbenzene
PubChem CID157470399
Molecular FormulaC41H53N17O
Molecular Weight799.99 g/mol
Exact Mass799.46
IUPAC Name1,7-dimethylimidazo[4,5-c]pyridin-4-amine;2,9-dimethylpurin-6-amine;8,9-dimethylpurin-6-amine;1-ethyl-4,5-dimethylpyrazolo[3,4-b]pyridine;1-methoxy-2,4-dimethylbenzene
SMILESCCn1ncc2c(C)c(C)cnc21.COc1ccc(C)cc1C.Cc1cnc(N)c2ncn(C)c12.Cc1nc(N)c2ncn(C)c2n1.Cc1nc2c(N)ncnc2n1C
InChIInChI=1S/C10H13N3.C9H12O.C8H10N4.2C7H9N5/c1-4-13-10-9(6-12-13)8(3)7(2)5-11-10;1-7-4-5-9(10-3)8(2)6-7;1-5-3-10-8(9)6-7(5)12(2)4-11-6;1-4-11-5-6(8)9-3-10-7(5)12(4)2;1-4-10-6(8)5-7(11-4)12(2)3-9-5/h5-6H,4H2,1-3H3;4-6H,1-3H3;3-4H,1-2H3,(H2,9,10);3H,1-2H3,(H2,8,9,10);3H,1-2H3,(H2,8,10,11)
InChIKeyBUYUBTQEEBFTNG-UHFFFAOYSA-N
XLogP5.75
TPSA235.91 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds2
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500799.99
LogP ≤ 55.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 1,7-dimethylimidazo[4,5-c]pyridin-4-amine;2,9-dimethylpurin-6-amine;8,9-dimethylpurin-6-amine;1-ethyl-4,5-dimethylpyrazolo[3,4-b]pyridine;1-methoxy-2,4-dimethylbenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethylimidazo[4,5-c]pyridin-4-amine;2,9-dimethylpurin-6-amine;8,9-dimethylpurin-6-amine;1-ethyl-4,5-dimethylpyrazolo[3,4-b]pyridine;1-methoxy-2,4-dimethylbenzene?
The IUPAC name of 1,7-dimethylimidazo[4,5-c]pyridin-4-amine;2,9-dimethylpurin-6-amine;8,9-dimethylpurin-6-amine;1-ethyl-4,5-dimethylpyrazolo[3,4-b]pyridine;1-methoxy-2,4-dimethylbenzene (CID 157470399) is 1,7-dimethylimidazo[4,5-c]pyridin-4-amine;2,9-dimethylpurin-6-amine;8,9-dimethylpurin-6-amine;1-ethyl-4,5-dimethylpyrazolo[3,4-b]pyridine;1-methoxy-2,4-dimethylbenzene.
What is the SMILES notation for 1,7-dimethylimidazo[4,5-c]pyridin-4-amine;2,9-dimethylpurin-6-amine;8,9-dimethylpurin-6-amine;1-ethyl-4,5-dimethylpyrazolo[3,4-b]pyridine;1-methoxy-2,4-dimethylbenzene?
The canonical SMILES for 1,7-dimethylimidazo[4,5-c]pyridin-4-amine;2,9-dimethylpurin-6-amine;8,9-dimethylpurin-6-amine;1-ethyl-4,5-dimethylpyrazolo[3,4-b]pyridine;1-methoxy-2,4-dimethylbenzene is CCn1ncc2c(C)c(C)cnc21.COc1ccc(C)cc1C.Cc1cnc(N)c2ncn(C)c12.Cc1nc(N)c2ncn(C)c2n1.Cc1nc2c(N)ncnc2n1C.
What is the InChIKey of 1,7-dimethylimidazo[4,5-c]pyridin-4-amine;2,9-dimethylpurin-6-amine;8,9-dimethylpurin-6-amine;1-ethyl-4,5-dimethylpyrazolo[3,4-b]pyridine;1-methoxy-2,4-dimethylbenzene?
The InChIKey is BUYUBTQEEBFTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3.C9H12O.C8H10N4.2C7H9N5/c1-4-13-10-9(6-12-13)8(3)7(2)5-11-10;1-7-4-5-9(10-3)8(2)6-7;1-5-3-10-8(9)6-7(5)12(2)4-11-6;1-4-11-5-6(8)9-3-10-7(5)12(4)2;1-4-10-6(8)5-7(11-4)12(2)3-9-5/h5-6H,4H2,1-3H3;4-6H,1-3H3;3-4H,1-2H3,(H2,9,10);3H,1-2H3,(H2,8,9,10);3H,1-2H3,(H2,8,10,11).
What are the key properties of 1,7-dimethylimidazo[4,5-c]pyridin-4-amine;2,9-dimethylpurin-6-amine;8,9-dimethylpurin-6-amine;1-ethyl-4,5-dimethylpyrazolo[3,4-b]pyridine;1-methoxy-2,4-dimethylbenzene?
1,7-dimethylimidazo[4,5-c]pyridin-4-amine;2,9-dimethylpurin-6-amine;8,9-dimethylpurin-6-amine;1-ethyl-4,5-dimethylpyrazolo[3,4-b]pyridine;1-methoxy-2,4-dimethylbenzene has a molecular weight of 799.99 g/mol, XLogP of 5.75, 2 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethylimidazo[4,5-c]pyridin-4-amine;2,9-dimethylpurin-6-amine;8,9-dimethylpurin-6-amine;1-ethyl-4,5-dimethylpyrazolo[3,4-b]pyridine;1-methoxy-2,4-dimethylbenzene is sourced from PubChem (CID 157470399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).