2-[4-(1-methylpyrazol-4-yl)phenyl]-7-pyrimidin-5-ylfuro[3,2-b]pyridine

C21H15N5O — CID 66779377

IUPAC2-[4-(1-methylpyrazol-4-yl)phenyl]-7-pyrimidin-5-ylfuro[3,2-b]pyridine
SMILESCn1cc(-c2ccc(-c3cc4nccc(-c5cncnc5)c4o3)cc2)cn1
InChIInChI=1S/C21H15N5O/c1-26-12-17(11-25-26)14-2-4-15(5-3-14)20-8-19-21(27-20)18(6-7-24-19)16-9-22-13-23-10-16/h2-13H,1H3
InChIKeyMTNHPDJKYNSYTB-UHFFFAOYSA-N
MW353.39 g/mol
LogP4.35
Rot. Bonds3

About 2-[4-(1-methylpyrazol-4-yl)phenyl]-7-pyrimidin-5-ylfuro[3,2-b]pyridine

2-[4-(1-methylpyrazol-4-yl)phenyl]-7-pyrimidin-5-ylfuro[3,2-b]pyridine (PubChem CID 66779377) has the molecular formula C21H15N5O and a molecular weight of 353.39 g/mol. Its IUPAC name is 2-[4-(1-methylpyrazol-4-yl)phenyl]-7-pyrimidin-5-ylfuro[3,2-b]pyridine.

Molecular Properties

Compound Name2-[4-(1-methylpyrazol-4-yl)phenyl]-7-pyrimidin-5-ylfuro[3,2-b]pyridine
PubChem CID66779377
Molecular FormulaC21H15N5O
Molecular Weight353.39 g/mol
Exact Mass353.13
IUPAC Name2-[4-(1-methylpyrazol-4-yl)phenyl]-7-pyrimidin-5-ylfuro[3,2-b]pyridine
SMILESCn1cc(-c2ccc(-c3cc4nccc(-c5cncnc5)c4o3)cc2)cn1
InChIInChI=1S/C21H15N5O/c1-26-12-17(11-25-26)14-2-4-15(5-3-14)20-8-19-21(27-20)18(6-7-24-19)16-9-22-13-23-10-16/h2-13H,1H3
InChIKeyMTNHPDJKYNSYTB-UHFFFAOYSA-N
XLogP4.35
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylpyrazol-4-yl)phenyl]-7-pyrimidin-5-ylfuro[3,2-b]pyridine?
The IUPAC name of 2-[4-(1-methylpyrazol-4-yl)phenyl]-7-pyrimidin-5-ylfuro[3,2-b]pyridine (CID 66779377) is 2-[4-(1-methylpyrazol-4-yl)phenyl]-7-pyrimidin-5-ylfuro[3,2-b]pyridine.
What is the SMILES notation for 2-[4-(1-methylpyrazol-4-yl)phenyl]-7-pyrimidin-5-ylfuro[3,2-b]pyridine?
The canonical SMILES for 2-[4-(1-methylpyrazol-4-yl)phenyl]-7-pyrimidin-5-ylfuro[3,2-b]pyridine is Cn1cc(-c2ccc(-c3cc4nccc(-c5cncnc5)c4o3)cc2)cn1.
What is the InChIKey of 2-[4-(1-methylpyrazol-4-yl)phenyl]-7-pyrimidin-5-ylfuro[3,2-b]pyridine?
The InChIKey is MTNHPDJKYNSYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O/c1-26-12-17(11-25-26)14-2-4-15(5-3-14)20-8-19-21(27-20)18(6-7-24-19)16-9-22-13-23-10-16/h2-13H,1H3.
What are the key properties of 2-[4-(1-methylpyrazol-4-yl)phenyl]-7-pyrimidin-5-ylfuro[3,2-b]pyridine?
2-[4-(1-methylpyrazol-4-yl)phenyl]-7-pyrimidin-5-ylfuro[3,2-b]pyridine has a molecular weight of 353.39 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylpyrazol-4-yl)phenyl]-7-pyrimidin-5-ylfuro[3,2-b]pyridine is sourced from PubChem (CID 66779377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).