5-[2-[4-(1-methylpyrazol-4-yl)phenyl]furo[3,2-b]pyridin-7-yl]pyridin-2-amine

C22H17N5O — CID 56848761

IUPAC5-[2-[4-(1-methylpyrazol-4-yl)phenyl]furo[3,2-b]pyridin-7-yl]pyridin-2-amine
SMILESCn1cc(-c2ccc(-c3cc4nccc(-c5ccc(N)nc5)c4o3)cc2)cn1
InChIInChI=1S/C22H17N5O/c1-27-13-17(12-26-27)14-2-4-15(5-3-14)20-10-19-22(28-20)18(8-9-24-19)16-6-7-21(23)25-11-16/h2-13H,1H3,(H2,23,25)
InChIKeyZOQLTRNENZXMFY-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.54
Rot. Bonds3

About 5-[2-[4-(1-methylpyrazol-4-yl)phenyl]furo[3,2-b]pyridin-7-yl]pyridin-2-amine

5-[2-[4-(1-methylpyrazol-4-yl)phenyl]furo[3,2-b]pyridin-7-yl]pyridin-2-amine (PubChem CID 56848761) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is 5-[2-[4-(1-methylpyrazol-4-yl)phenyl]furo[3,2-b]pyridin-7-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[2-[4-(1-methylpyrazol-4-yl)phenyl]furo[3,2-b]pyridin-7-yl]pyridin-2-amine
PubChem CID56848761
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name5-[2-[4-(1-methylpyrazol-4-yl)phenyl]furo[3,2-b]pyridin-7-yl]pyridin-2-amine
SMILESCn1cc(-c2ccc(-c3cc4nccc(-c5ccc(N)nc5)c4o3)cc2)cn1
InChIInChI=1S/C22H17N5O/c1-27-13-17(12-26-27)14-2-4-15(5-3-14)20-10-19-22(28-20)18(8-9-24-19)16-6-7-21(23)25-11-16/h2-13H,1H3,(H2,23,25)
InChIKeyZOQLTRNENZXMFY-UHFFFAOYSA-N
XLogP4.54
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(1-methylpyrazol-4-yl)phenyl]furo[3,2-b]pyridin-7-yl]pyridin-2-amine?
The IUPAC name of 5-[2-[4-(1-methylpyrazol-4-yl)phenyl]furo[3,2-b]pyridin-7-yl]pyridin-2-amine (CID 56848761) is 5-[2-[4-(1-methylpyrazol-4-yl)phenyl]furo[3,2-b]pyridin-7-yl]pyridin-2-amine.
What is the SMILES notation for 5-[2-[4-(1-methylpyrazol-4-yl)phenyl]furo[3,2-b]pyridin-7-yl]pyridin-2-amine?
The canonical SMILES for 5-[2-[4-(1-methylpyrazol-4-yl)phenyl]furo[3,2-b]pyridin-7-yl]pyridin-2-amine is Cn1cc(-c2ccc(-c3cc4nccc(-c5ccc(N)nc5)c4o3)cc2)cn1.
What is the InChIKey of 5-[2-[4-(1-methylpyrazol-4-yl)phenyl]furo[3,2-b]pyridin-7-yl]pyridin-2-amine?
The InChIKey is ZOQLTRNENZXMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c1-27-13-17(12-26-27)14-2-4-15(5-3-14)20-10-19-22(28-20)18(8-9-24-19)16-6-7-21(23)25-11-16/h2-13H,1H3,(H2,23,25).
What are the key properties of 5-[2-[4-(1-methylpyrazol-4-yl)phenyl]furo[3,2-b]pyridin-7-yl]pyridin-2-amine?
5-[2-[4-(1-methylpyrazol-4-yl)phenyl]furo[3,2-b]pyridin-7-yl]pyridin-2-amine has a molecular weight of 367.41 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(1-methylpyrazol-4-yl)phenyl]furo[3,2-b]pyridin-7-yl]pyridin-2-amine is sourced from PubChem (CID 56848761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).