[1-[(5-ethylthiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol

C15H16N2OS — CID 66415282

IUPAC[1-[(5-ethylthiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESCCc1ccc(Cn2cc(CO)c3cccnc32)s1
InChIInChI=1S/C15H16N2OS/c1-2-12-5-6-13(19-12)9-17-8-11(10-18)14-4-3-7-16-15(14)17/h3-8,18H,2,9-10H2,1H3
InChIKeyRGWGVZVCJDIXSC-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.20
Rot. Bonds4

About [1-[(5-ethylthiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol

[1-[(5-ethylthiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol (PubChem CID 66415282) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is [1-[(5-ethylthiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(5-ethylthiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
PubChem CID66415282
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name[1-[(5-ethylthiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESCCc1ccc(Cn2cc(CO)c3cccnc32)s1
InChIInChI=1S/C15H16N2OS/c1-2-12-5-6-13(19-12)9-17-8-11(10-18)14-4-3-7-16-15(14)17/h3-8,18H,2,9-10H2,1H3
InChIKeyRGWGVZVCJDIXSC-UHFFFAOYSA-N
XLogP3.20
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-ethylthiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
The IUPAC name of [1-[(5-ethylthiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol (CID 66415282) is [1-[(5-ethylthiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol.
What is the SMILES notation for [1-[(5-ethylthiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
The canonical SMILES for [1-[(5-ethylthiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol is CCc1ccc(Cn2cc(CO)c3cccnc32)s1.
What is the InChIKey of [1-[(5-ethylthiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
The InChIKey is RGWGVZVCJDIXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-2-12-5-6-13(19-12)9-17-8-11(10-18)14-4-3-7-16-15(14)17/h3-8,18H,2,9-10H2,1H3.
What are the key properties of [1-[(5-ethylthiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol?
[1-[(5-ethylthiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol has a molecular weight of 272.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-ethylthiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol is sourced from PubChem (CID 66415282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).