4-[4-(2-amino-1H-imidazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine

C17H16N6 — CID 56893895

IUPAC4-[4-(2-amino-1H-imidazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCNc1cc(-c2ccc(-c3cnc(N)[nH]3)cc2)c2cc[nH]c2n1
InChIInChI=1S/C17H16N6/c1-19-15-8-13(12-6-7-20-16(12)23-15)10-2-4-11(5-3-10)14-9-21-17(18)22-14/h2-9H,1H3,(H3,18,21,22)(H2,19,20,23)
InChIKeyZPUQEKLXAOEZMB-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.24
Rot. Bonds3

About 4-[4-(2-amino-1H-imidazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine

4-[4-(2-amino-1H-imidazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 56893895) has the molecular formula C17H16N6 and a molecular weight of 304.36 g/mol. Its IUPAC name is 4-[4-(2-amino-1H-imidazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name4-[4-(2-amino-1H-imidazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID56893895
Molecular FormulaC17H16N6
Molecular Weight304.36 g/mol
Exact Mass304.14
IUPAC Name4-[4-(2-amino-1H-imidazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCNc1cc(-c2ccc(-c3cnc(N)[nH]3)cc2)c2cc[nH]c2n1
InChIInChI=1S/C17H16N6/c1-19-15-8-13(12-6-7-20-16(12)23-15)10-2-4-11(5-3-10)14-9-21-17(18)22-14/h2-9H,1H3,(H3,18,21,22)(H2,19,20,23)
InChIKeyZPUQEKLXAOEZMB-UHFFFAOYSA-N
XLogP3.24
TPSA95.41 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[4-(2-amino-1H-imidazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine with MolForge

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Related Compounds

4-isoquinolin-4-yl-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70762148
5-[6-(methylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione
CID 56916433
4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56899228
N-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56910762
5-(4-ethoxyphenyl)-1H-imidazol-2-amine
CID 12733698
5-(4-methylsulfanylphenyl)-1H-imidazol-2-amine
CID 66202105
N-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56916569
4-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56873902
N-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56911434
4-(6-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70773886
4-(6-amino-3-pyridinyl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56907286
5-phenyl-1H-imidazol-2-amine;propane
CID 143872640

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-amino-1H-imidazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of 4-[4-(2-amino-1H-imidazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 56893895) is 4-[4-(2-amino-1H-imidazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for 4-[4-(2-amino-1H-imidazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for 4-[4-(2-amino-1H-imidazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine is CNc1cc(-c2ccc(-c3cnc(N)[nH]3)cc2)c2cc[nH]c2n1.
What is the InChIKey of 4-[4-(2-amino-1H-imidazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is ZPUQEKLXAOEZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6/c1-19-15-8-13(12-6-7-20-16(12)23-15)10-2-4-11(5-3-10)14-9-21-17(18)22-14/h2-9H,1H3,(H3,18,21,22)(H2,19,20,23).
What are the key properties of 4-[4-(2-amino-1H-imidazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine?
4-[4-(2-amino-1H-imidazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 304.36 g/mol, XLogP of 3.24, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-amino-1H-imidazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 56893895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).