4-(3-methylimidazol-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

C17H16N6 — CID 56914657

IUPAC4-(3-methylimidazol-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCn1cncc1-c1cc(NCc2ccccn2)nc2[nH]ccc12
InChIInChI=1S/C17H16N6/c1-23-11-18-10-15(23)14-8-16(22-17-13(14)5-7-20-17)21-9-12-4-2-3-6-19-12/h2-8,10-11H,9H2,1H3,(H2,20,21,22)
InChIKeyGMQRHCQPLRZLKT-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.97
Rot. Bonds4

About 4-(3-methylimidazol-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

4-(3-methylimidazol-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 56914657) has the molecular formula C17H16N6 and a molecular weight of 304.36 g/mol. Its IUPAC name is 4-(3-methylimidazol-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name4-(3-methylimidazol-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID56914657
Molecular FormulaC17H16N6
Molecular Weight304.36 g/mol
Exact Mass304.14
IUPAC Name4-(3-methylimidazol-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCn1cncc1-c1cc(NCc2ccccn2)nc2[nH]ccc12
InChIInChI=1S/C17H16N6/c1-23-11-18-10-15(23)14-8-16(22-17-13(14)5-7-20-17)21-9-12-4-2-3-6-19-12/h2-8,10-11H,9H2,1H3,(H2,20,21,22)
InChIKeyGMQRHCQPLRZLKT-UHFFFAOYSA-N
XLogP2.97
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(3-methylimidazol-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine with MolForge

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Related Compounds

4-isoquinolin-4-yl-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70788507
4-(3,6-dimethylpyrazin-2-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70769027
4-(2,6-dimethyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70781252
N-(pyridin-2-ylmethyl)-4-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56899720
4-(5-fluoro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70757798
4-(6-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70773886
4-(3-chloro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56913487
6-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyridin-2-one
CID 56882752
4-(6-methoxypyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70738109
4-[3,5-dimethyl-1-(2H-tetrazol-5-yl)pyrazol-4-yl]-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56884296
N-(pyridin-2-ylmethyl)-4-[4-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56906338
5-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione
CID 56916716

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylimidazol-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of 4-(3-methylimidazol-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 56914657) is 4-(3-methylimidazol-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for 4-(3-methylimidazol-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for 4-(3-methylimidazol-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine is Cn1cncc1-c1cc(NCc2ccccn2)nc2[nH]ccc12.
What is the InChIKey of 4-(3-methylimidazol-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is GMQRHCQPLRZLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6/c1-23-11-18-10-15(23)14-8-16(22-17-13(14)5-7-20-17)21-9-12-4-2-3-6-19-12/h2-8,10-11H,9H2,1H3,(H2,20,21,22).
What are the key properties of 4-(3-methylimidazol-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
4-(3-methylimidazol-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 304.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylimidazol-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 56914657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).