1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol

C19H21FN6O — CID 67949826

IUPAC1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol
SMILESOC1(C2CN(c3ccc(F)c(-c4[nH]nc5ncccc45)n3)CCN2)CCC1
InChIInChI=1S/C19H21FN6O/c20-13-4-5-15(26-10-9-21-14(11-26)19(27)6-2-7-19)23-17(13)16-12-3-1-8-22-18(12)25-24-16/h1,3-5,8,14,21,27H,2,6-7,9-11H2,(H,22,24,25)
InChIKeyQEZOSRSMWDUCIF-UHFFFAOYSA-N
MW368.42 g/mol
LogP1.85
Rot. Bonds3

About 1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol

1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol (PubChem CID 67949826) has the molecular formula C19H21FN6O and a molecular weight of 368.42 g/mol. Its IUPAC name is 1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol
PubChem CID67949826
Molecular FormulaC19H21FN6O
Molecular Weight368.42 g/mol
Exact Mass368.18
IUPAC Name1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol
SMILESOC1(C2CN(c3ccc(F)c(-c4[nH]nc5ncccc45)n3)CCN2)CCC1
InChIInChI=1S/C19H21FN6O/c20-13-4-5-15(26-10-9-21-14(11-26)19(27)6-2-7-19)23-17(13)16-12-3-1-8-22-18(12)25-24-16/h1,3-5,8,14,21,27H,2,6-7,9-11H2,(H,22,24,25)
InChIKeyQEZOSRSMWDUCIF-UHFFFAOYSA-N
XLogP1.85
TPSA89.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol?
The IUPAC name of 1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol (CID 67949826) is 1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol.
What is the SMILES notation for 1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol?
The canonical SMILES for 1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol is OC1(C2CN(c3ccc(F)c(-c4[nH]nc5ncccc45)n3)CCN2)CCC1.
What is the InChIKey of 1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol?
The InChIKey is QEZOSRSMWDUCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O/c20-13-4-5-15(26-10-9-21-14(11-26)19(27)6-2-7-19)23-17(13)16-12-3-1-8-22-18(12)25-24-16/h1,3-5,8,14,21,27H,2,6-7,9-11H2,(H,22,24,25).
What are the key properties of 1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol?
1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol has a molecular weight of 368.42 g/mol, XLogP of 1.85, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]cyclobutan-1-ol is sourced from PubChem (CID 67949826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).