4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol

C17H14N4O — CID 166631277

IUPAC4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol
SMILESCn1cc(-c2cnc3[nH]cc(-c4ccc(O)cc4)c3c2)cn1
InChIInChI=1S/C17H14N4O/c1-21-10-13(8-20-21)12-6-15-16(9-19-17(15)18-7-12)11-2-4-14(22)5-3-11/h2-10,22H,1H3,(H,18,19)
InChIKeyGEVALOAPVDVLRC-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.34
Rot. Bonds2

About 4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol

4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol (PubChem CID 166631277) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol.

Molecular Properties

Compound Name4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol
PubChem CID166631277
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol
SMILESCn1cc(-c2cnc3[nH]cc(-c4ccc(O)cc4)c3c2)cn1
InChIInChI=1S/C17H14N4O/c1-21-10-13(8-20-21)12-6-15-16(9-19-17(15)18-7-12)11-2-4-14(22)5-3-11/h2-10,22H,1H3,(H,18,19)
InChIKeyGEVALOAPVDVLRC-UHFFFAOYSA-N
XLogP3.34
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol?
The IUPAC name of 4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol (CID 166631277) is 4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol.
What is the SMILES notation for 4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol?
The canonical SMILES for 4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol is Cn1cc(-c2cnc3[nH]cc(-c4ccc(O)cc4)c3c2)cn1.
What is the InChIKey of 4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol?
The InChIKey is GEVALOAPVDVLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-21-10-13(8-20-21)12-6-15-16(9-19-17(15)18-7-12)11-2-4-14(22)5-3-11/h2-10,22H,1H3,(H,18,19).
What are the key properties of 4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol?
4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol has a molecular weight of 290.33 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol is sourced from PubChem (CID 166631277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).