4-(1-piperidin-4-ylpyrazol-4-yl)-9H-indeno[2,1-b]pyridine

C20H20N4 — CID 159604907

IUPAC4-(1-piperidin-4-ylpyrazol-4-yl)-9H-indeno[2,1-b]pyridine
SMILESc1ccc2c(c1)Cc1nccc(-c3cnn(C4CCNCC4)c3)c1-2
InChIInChI=1S/C20H20N4/c1-2-4-17-14(3-1)11-19-20(17)18(7-10-22-19)15-12-23-24(13-15)16-5-8-21-9-6-16/h1-4,7,10,12-13,16,21H,5-6,8-9,11H2
InChIKeyQRBCXECYJMBVGW-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.44
Rot. Bonds2

About 4-(1-piperidin-4-ylpyrazol-4-yl)-9H-indeno[2,1-b]pyridine

4-(1-piperidin-4-ylpyrazol-4-yl)-9H-indeno[2,1-b]pyridine (PubChem CID 159604907) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-(1-piperidin-4-ylpyrazol-4-yl)-9H-indeno[2,1-b]pyridine.

Molecular Properties

Compound Name4-(1-piperidin-4-ylpyrazol-4-yl)-9H-indeno[2,1-b]pyridine
PubChem CID159604907
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name4-(1-piperidin-4-ylpyrazol-4-yl)-9H-indeno[2,1-b]pyridine
SMILESc1ccc2c(c1)Cc1nccc(-c3cnn(C4CCNCC4)c3)c1-2
InChIInChI=1S/C20H20N4/c1-2-4-17-14(3-1)11-19-20(17)18(7-10-22-19)15-12-23-24(13-15)16-5-8-21-9-6-16/h1-4,7,10,12-13,16,21H,5-6,8-9,11H2
InChIKeyQRBCXECYJMBVGW-UHFFFAOYSA-N
XLogP3.44
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-piperidin-4-ylpyrazol-4-yl)-9H-indeno[2,1-b]pyridine?
The IUPAC name of 4-(1-piperidin-4-ylpyrazol-4-yl)-9H-indeno[2,1-b]pyridine (CID 159604907) is 4-(1-piperidin-4-ylpyrazol-4-yl)-9H-indeno[2,1-b]pyridine.
What is the SMILES notation for 4-(1-piperidin-4-ylpyrazol-4-yl)-9H-indeno[2,1-b]pyridine?
The canonical SMILES for 4-(1-piperidin-4-ylpyrazol-4-yl)-9H-indeno[2,1-b]pyridine is c1ccc2c(c1)Cc1nccc(-c3cnn(C4CCNCC4)c3)c1-2.
What is the InChIKey of 4-(1-piperidin-4-ylpyrazol-4-yl)-9H-indeno[2,1-b]pyridine?
The InChIKey is QRBCXECYJMBVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c1-2-4-17-14(3-1)11-19-20(17)18(7-10-22-19)15-12-23-24(13-15)16-5-8-21-9-6-16/h1-4,7,10,12-13,16,21H,5-6,8-9,11H2.
What are the key properties of 4-(1-piperidin-4-ylpyrazol-4-yl)-9H-indeno[2,1-b]pyridine?
4-(1-piperidin-4-ylpyrazol-4-yl)-9H-indeno[2,1-b]pyridine has a molecular weight of 316.41 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-piperidin-4-ylpyrazol-4-yl)-9H-indeno[2,1-b]pyridine is sourced from PubChem (CID 159604907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).