2-cyclopentyl-4-(difluoromethyl)-6-piperazin-1-ylpyrazolo[3,4-b]pyridine

C16H21F2N5 — CID 25248612

IUPAC2-cyclopentyl-4-(difluoromethyl)-6-piperazin-1-ylpyrazolo[3,4-b]pyridine
SMILESFC(F)c1cc(N2CCNCC2)nc2nn(C3CCCC3)cc12
InChIInChI=1S/C16H21F2N5/c17-15(18)12-9-14(22-7-5-19-6-8-22)20-16-13(12)10-23(21-16)11-3-1-2-4-11/h9-11,15,19H,1-8H2
InChIKeyPNMKSLUEZPIQDU-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.89
Rot. Bonds3

About 2-cyclopentyl-4-(difluoromethyl)-6-piperazin-1-ylpyrazolo[3,4-b]pyridine

2-cyclopentyl-4-(difluoromethyl)-6-piperazin-1-ylpyrazolo[3,4-b]pyridine (PubChem CID 25248612) has the molecular formula C16H21F2N5 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-cyclopentyl-4-(difluoromethyl)-6-piperazin-1-ylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name2-cyclopentyl-4-(difluoromethyl)-6-piperazin-1-ylpyrazolo[3,4-b]pyridine
PubChem CID25248612
Molecular FormulaC16H21F2N5
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name2-cyclopentyl-4-(difluoromethyl)-6-piperazin-1-ylpyrazolo[3,4-b]pyridine
SMILESFC(F)c1cc(N2CCNCC2)nc2nn(C3CCCC3)cc12
InChIInChI=1S/C16H21F2N5/c17-15(18)12-9-14(22-7-5-19-6-8-22)20-16-13(12)10-23(21-16)11-3-1-2-4-11/h9-11,15,19H,1-8H2
InChIKeyPNMKSLUEZPIQDU-UHFFFAOYSA-N
XLogP2.89
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-(difluoromethyl)-6-piperazin-1-ylpyrazolo[3,4-b]pyridine?
The IUPAC name of 2-cyclopentyl-4-(difluoromethyl)-6-piperazin-1-ylpyrazolo[3,4-b]pyridine (CID 25248612) is 2-cyclopentyl-4-(difluoromethyl)-6-piperazin-1-ylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 2-cyclopentyl-4-(difluoromethyl)-6-piperazin-1-ylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 2-cyclopentyl-4-(difluoromethyl)-6-piperazin-1-ylpyrazolo[3,4-b]pyridine is FC(F)c1cc(N2CCNCC2)nc2nn(C3CCCC3)cc12.
What is the InChIKey of 2-cyclopentyl-4-(difluoromethyl)-6-piperazin-1-ylpyrazolo[3,4-b]pyridine?
The InChIKey is PNMKSLUEZPIQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N5/c17-15(18)12-9-14(22-7-5-19-6-8-22)20-16-13(12)10-23(21-16)11-3-1-2-4-11/h9-11,15,19H,1-8H2.
What are the key properties of 2-cyclopentyl-4-(difluoromethyl)-6-piperazin-1-ylpyrazolo[3,4-b]pyridine?
2-cyclopentyl-4-(difluoromethyl)-6-piperazin-1-ylpyrazolo[3,4-b]pyridine has a molecular weight of 321.38 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-(difluoromethyl)-6-piperazin-1-ylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 25248612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).