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

C17H16N4O2 — CID 56911653

IUPAC4-furo[3,2-c]pyridin-4-yl-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCOCCNc1cc(-c2nccc3occc23)c2cc[nH]c2n1
InChIInChI=1S/C17H16N4O2/c1-22-9-7-18-15-10-13(11-2-5-20-17(11)21-15)16-12-4-8-23-14(12)3-6-19-16/h2-6,8,10H,7,9H2,1H3,(H2,18,20,21)
InChIKeyKPLUOBHUIZSVCI-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.43
Rot. Bonds5

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

4-furo[3,2-c]pyridin-4-yl-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 56911653) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-furo[3,2-c]pyridin-4-yl-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name4-furo[3,2-c]pyridin-4-yl-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID56911653
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name4-furo[3,2-c]pyridin-4-yl-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCOCCNc1cc(-c2nccc3occc23)c2cc[nH]c2n1
InChIInChI=1S/C17H16N4O2/c1-22-9-7-18-15-10-13(11-2-5-20-17(11)21-15)16-12-4-8-23-14(12)3-6-19-16/h2-6,8,10H,7,9H2,1H3,(H2,18,20,21)
InChIKeyKPLUOBHUIZSVCI-UHFFFAOYSA-N
XLogP3.43
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-furo[3,2-c]pyridin-4-yl-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of 4-furo[3,2-c]pyridin-4-yl-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 56911653) is 4-furo[3,2-c]pyridin-4-yl-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for 4-furo[3,2-c]pyridin-4-yl-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for 4-furo[3,2-c]pyridin-4-yl-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine is COCCNc1cc(-c2nccc3occc23)c2cc[nH]c2n1.
What is the InChIKey of 4-furo[3,2-c]pyridin-4-yl-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is KPLUOBHUIZSVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-22-9-7-18-15-10-13(11-2-5-20-17(11)21-15)16-12-4-8-23-14(12)3-6-19-16/h2-6,8,10H,7,9H2,1H3,(H2,18,20,21).
What are the key properties of 4-furo[3,2-c]pyridin-4-yl-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
4-furo[3,2-c]pyridin-4-yl-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 308.34 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-furo[3,2-c]pyridin-4-yl-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 56911653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).