4-(1H-imidazo[4,5-b]pyridin-5-yl)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

C16H16N6O — CID 56896945

IUPAC4-(1H-imidazo[4,5-b]pyridin-5-yl)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCOCCNc1cc(-c2ccc3[nH]cnc3n2)c2cc[nH]c2n1
InChIInChI=1S/C16H16N6O/c1-23-7-6-17-14-8-11(10-4-5-18-15(10)22-14)12-2-3-13-16(21-12)20-9-19-13/h2-5,8-9H,6-7H2,1H3,(H2,17,18,22)(H,19,20,21)
InChIKeyCRRXYWFVPARNFE-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.56
Rot. Bonds5

About 4-(1H-imidazo[4,5-b]pyridin-5-yl)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

4-(1H-imidazo[4,5-b]pyridin-5-yl)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 56896945) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is 4-(1H-imidazo[4,5-b]pyridin-5-yl)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name4-(1H-imidazo[4,5-b]pyridin-5-yl)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID56896945
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name4-(1H-imidazo[4,5-b]pyridin-5-yl)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCOCCNc1cc(-c2ccc3[nH]cnc3n2)c2cc[nH]c2n1
InChIInChI=1S/C16H16N6O/c1-23-7-6-17-14-8-11(10-4-5-18-15(10)22-14)12-2-3-13-16(21-12)20-9-19-13/h2-5,8-9H,6-7H2,1H3,(H2,17,18,22)(H,19,20,21)
InChIKeyCRRXYWFVPARNFE-UHFFFAOYSA-N
XLogP2.56
TPSA91.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenol
CID 56909607
4-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide
CID 56912389
N-(2-methoxyethyl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56906336
5-[6-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridine-3-carboxamide
CID 56901483
1-[6-[6-(2-hydroxyethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]ethanone
CID 56901295
N-(2-methoxyethyl)-1H-indol-5-amine
CID 82539811
4-(6-methoxypyrimidin-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70738109
2-[[4-(2-amino-6-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid
CID 70772763
2-[[4-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]ethanol
CID 56893138
4-(5-ethyl-2-methylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56902926
2-[2-(1H-indazol-6-yl)hydrazinyl]-N-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 90994686
4-(5-fluoro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70757798

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazo[4,5-b]pyridin-5-yl)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of 4-(1H-imidazo[4,5-b]pyridin-5-yl)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 56896945) is 4-(1H-imidazo[4,5-b]pyridin-5-yl)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for 4-(1H-imidazo[4,5-b]pyridin-5-yl)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for 4-(1H-imidazo[4,5-b]pyridin-5-yl)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine is COCCNc1cc(-c2ccc3[nH]cnc3n2)c2cc[nH]c2n1.
What is the InChIKey of 4-(1H-imidazo[4,5-b]pyridin-5-yl)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is CRRXYWFVPARNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c1-23-7-6-17-14-8-11(10-4-5-18-15(10)22-14)12-2-3-13-16(21-12)20-9-19-13/h2-5,8-9H,6-7H2,1H3,(H2,17,18,22)(H,19,20,21).
What are the key properties of 4-(1H-imidazo[4,5-b]pyridin-5-yl)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
4-(1H-imidazo[4,5-b]pyridin-5-yl)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 308.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazo[4,5-b]pyridin-5-yl)-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 56896945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).