6-(5-methoxy-3-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)naphthalen-2-ol

C23H17N3O2 — CID 136609931

IUPAC6-(5-methoxy-3-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)naphthalen-2-ol
SMILESCOc1ccc2[nH]c(-c3ccc4cc(O)ccc4c3)c(-c3ccncc3)c2n1
InChIInChI=1S/C23H17N3O2/c1-28-20-7-6-19-23(26-20)21(14-8-10-24-11-9-14)22(25-19)17-3-2-16-13-18(27)5-4-15(16)12-17/h2-13,25,27H,1H3
InChIKeyBQDBCRXWZHBZIF-UHFFFAOYSA-N
MW367.41 g/mol
LogP5.16
Rot. Bonds3

About 6-(5-methoxy-3-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)naphthalen-2-ol

6-(5-methoxy-3-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)naphthalen-2-ol (PubChem CID 136609931) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 6-(5-methoxy-3-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)naphthalen-2-ol.

Molecular Properties

Compound Name6-(5-methoxy-3-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)naphthalen-2-ol
PubChem CID136609931
Molecular FormulaC23H17N3O2
Molecular Weight367.41 g/mol
Exact Mass367.13
IUPAC Name6-(5-methoxy-3-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)naphthalen-2-ol
SMILESCOc1ccc2[nH]c(-c3ccc4cc(O)ccc4c3)c(-c3ccncc3)c2n1
InChIInChI=1S/C23H17N3O2/c1-28-20-7-6-19-23(26-20)21(14-8-10-24-11-9-14)22(25-19)17-3-2-16-13-18(27)5-4-15(16)12-17/h2-13,25,27H,1H3
InChIKeyBQDBCRXWZHBZIF-UHFFFAOYSA-N
XLogP5.16
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.41
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methoxy-3-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)naphthalen-2-ol?
The IUPAC name of 6-(5-methoxy-3-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)naphthalen-2-ol (CID 136609931) is 6-(5-methoxy-3-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)naphthalen-2-ol.
What is the SMILES notation for 6-(5-methoxy-3-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)naphthalen-2-ol?
The canonical SMILES for 6-(5-methoxy-3-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)naphthalen-2-ol is COc1ccc2[nH]c(-c3ccc4cc(O)ccc4c3)c(-c3ccncc3)c2n1.
What is the InChIKey of 6-(5-methoxy-3-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)naphthalen-2-ol?
The InChIKey is BQDBCRXWZHBZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2/c1-28-20-7-6-19-23(26-20)21(14-8-10-24-11-9-14)22(25-19)17-3-2-16-13-18(27)5-4-15(16)12-17/h2-13,25,27H,1H3.
What are the key properties of 6-(5-methoxy-3-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)naphthalen-2-ol?
6-(5-methoxy-3-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)naphthalen-2-ol has a molecular weight of 367.41 g/mol, XLogP of 5.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methoxy-3-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)naphthalen-2-ol is sourced from PubChem (CID 136609931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).