1-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-2,3-dihydropyrrol-4-ol

C16H14N4O — CID 67132869

IUPAC1-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-2,3-dihydropyrrol-4-ol
SMILESOC1=CN(c2cccc(-c3ccnc4[nH]ccc34)n2)CC1
InChIInChI=1S/C16H14N4O/c21-11-6-9-20(10-11)15-3-1-2-14(19-15)12-4-7-17-16-13(12)5-8-18-16/h1-5,7-8,10,21H,6,9H2,(H,17,18)
InChIKeyVHKBEKUYQZRSRU-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.23
Rot. Bonds2

About 1-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-2,3-dihydropyrrol-4-ol

1-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-2,3-dihydropyrrol-4-ol (PubChem CID 67132869) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-2,3-dihydropyrrol-4-ol.

Molecular Properties

Compound Name1-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-2,3-dihydropyrrol-4-ol
PubChem CID67132869
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name1-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-2,3-dihydropyrrol-4-ol
SMILESOC1=CN(c2cccc(-c3ccnc4[nH]ccc34)n2)CC1
InChIInChI=1S/C16H14N4O/c21-11-6-9-20(10-11)15-3-1-2-14(19-15)12-4-7-17-16-13(12)5-8-18-16/h1-5,7-8,10,21H,6,9H2,(H,17,18)
InChIKeyVHKBEKUYQZRSRU-UHFFFAOYSA-N
XLogP3.23
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-2,3-dihydropyrrol-4-ol?
The IUPAC name of 1-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-2,3-dihydropyrrol-4-ol (CID 67132869) is 1-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-2,3-dihydropyrrol-4-ol.
What is the SMILES notation for 1-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-2,3-dihydropyrrol-4-ol?
The canonical SMILES for 1-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-2,3-dihydropyrrol-4-ol is OC1=CN(c2cccc(-c3ccnc4[nH]ccc34)n2)CC1.
What is the InChIKey of 1-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-2,3-dihydropyrrol-4-ol?
The InChIKey is VHKBEKUYQZRSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c21-11-6-9-20(10-11)15-3-1-2-14(19-15)12-4-7-17-16-13(12)5-8-18-16/h1-5,7-8,10,21H,6,9H2,(H,17,18).
What are the key properties of 1-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-2,3-dihydropyrrol-4-ol?
1-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-2,3-dihydropyrrol-4-ol has a molecular weight of 278.31 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-2,3-dihydropyrrol-4-ol is sourced from PubChem (CID 67132869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).