2-(4-fluorophenyl)-1-[3-(6-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone

C20H21FN4O2 — CID 178098691

IUPAC2-(4-fluorophenyl)-1-[3-(6-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone
SMILESCOc1ccc2c(C3CCCN(C(=O)Cc4ccc(F)cc4)C3)[nH]nc2n1
InChIInChI=1S/C20H21FN4O2/c1-27-17-9-8-16-19(23-24-20(16)22-17)14-3-2-10-25(12-14)18(26)11-13-4-6-15(21)7-5-13/h4-9,14H,2-3,10-12H2,1H3,(H,22,23,24)
InChIKeyIZGCNZVPNVVVEC-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.05
Rot. Bonds4

About 2-(4-fluorophenyl)-1-[3-(6-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone

2-(4-fluorophenyl)-1-[3-(6-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone (PubChem CID 178098691) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[3-(6-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[3-(6-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone
PubChem CID178098691
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name2-(4-fluorophenyl)-1-[3-(6-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone
SMILESCOc1ccc2c(C3CCCN(C(=O)Cc4ccc(F)cc4)C3)[nH]nc2n1
InChIInChI=1S/C20H21FN4O2/c1-27-17-9-8-16-19(23-24-20(16)22-17)14-3-2-10-25(12-14)18(26)11-13-4-6-15(21)7-5-13/h4-9,14H,2-3,10-12H2,1H3,(H,22,23,24)
InChIKeyIZGCNZVPNVVVEC-UHFFFAOYSA-N
XLogP3.05
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[3-(6-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[3-(6-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone (CID 178098691) is 2-(4-fluorophenyl)-1-[3-(6-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[3-(6-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[3-(6-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone is COc1ccc2c(C3CCCN(C(=O)Cc4ccc(F)cc4)C3)[nH]nc2n1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[3-(6-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone?
The InChIKey is IZGCNZVPNVVVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-27-17-9-8-16-19(23-24-20(16)22-17)14-3-2-10-25(12-14)18(26)11-13-4-6-15(21)7-5-13/h4-9,14H,2-3,10-12H2,1H3,(H,22,23,24).
What are the key properties of 2-(4-fluorophenyl)-1-[3-(6-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[3-(6-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone has a molecular weight of 368.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[3-(6-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 178098691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).