5-[1-(oxan-4-yl)pyrazol-4-yl]-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine

C20H25N5O — CID 166632500

IUPAC5-[1-(oxan-4-yl)pyrazol-4-yl]-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine
SMILESc1nc2[nH]cc(C3CCCNC3)c2cc1-c1cnn(C2CCOCC2)c1
InChIInChI=1S/C20H25N5O/c1-2-14(9-21-5-1)19-12-23-20-18(19)8-15(10-22-20)16-11-24-25(13-16)17-3-6-26-7-4-17/h8,10-14,17,21H,1-7,9H2,(H,22,23)
InChIKeyWTWWIFOFNIMLKF-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.24
Rot. Bonds3

About 5-[1-(oxan-4-yl)pyrazol-4-yl]-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine

5-[1-(oxan-4-yl)pyrazol-4-yl]-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 166632500) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 5-[1-(oxan-4-yl)pyrazol-4-yl]-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-[1-(oxan-4-yl)pyrazol-4-yl]-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID166632500
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name5-[1-(oxan-4-yl)pyrazol-4-yl]-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine
SMILESc1nc2[nH]cc(C3CCCNC3)c2cc1-c1cnn(C2CCOCC2)c1
InChIInChI=1S/C20H25N5O/c1-2-14(9-21-5-1)19-12-23-20-18(19)8-15(10-22-20)16-11-24-25(13-16)17-3-6-26-7-4-17/h8,10-14,17,21H,1-7,9H2,(H,22,23)
InChIKeyWTWWIFOFNIMLKF-UHFFFAOYSA-N
XLogP3.24
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(oxan-4-yl)pyrazol-4-yl]-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-[1-(oxan-4-yl)pyrazol-4-yl]-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine (CID 166632500) is 5-[1-(oxan-4-yl)pyrazol-4-yl]-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-[1-(oxan-4-yl)pyrazol-4-yl]-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-[1-(oxan-4-yl)pyrazol-4-yl]-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine is c1nc2[nH]cc(C3CCCNC3)c2cc1-c1cnn(C2CCOCC2)c1.
What is the InChIKey of 5-[1-(oxan-4-yl)pyrazol-4-yl]-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is WTWWIFOFNIMLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-2-14(9-21-5-1)19-12-23-20-18(19)8-15(10-22-20)16-11-24-25(13-16)17-3-6-26-7-4-17/h8,10-14,17,21H,1-7,9H2,(H,22,23).
What are the key properties of 5-[1-(oxan-4-yl)pyrazol-4-yl]-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine?
5-[1-(oxan-4-yl)pyrazol-4-yl]-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 351.45 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(oxan-4-yl)pyrazol-4-yl]-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 166632500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).