2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)oxolane-3-carboxamide

C19H16FN7O2 — CID 167759431

IUPAC2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)oxolane-3-carboxamide
SMILESO=C(Nc1ncnc2[nH]ncc12)C1CCOC1c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C19H16FN7O2/c20-14-3-1-2-4-15(14)27-9-11(7-24-27)16-12(5-6-29-16)19(28)25-17-13-8-23-26-18(13)22-10-21-17/h1-4,7-10,12,16H,5-6H2,(H2,21,22,23,25,26,28)
InChIKeyCKWWJHBYLYYXNJ-UHFFFAOYSA-N
MW393.38 g/mol
LogP2.39
Rot. Bonds4

About 2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)oxolane-3-carboxamide

2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)oxolane-3-carboxamide (PubChem CID 167759431) has the molecular formula C19H16FN7O2 and a molecular weight of 393.38 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)oxolane-3-carboxamide
PubChem CID167759431
Molecular FormulaC19H16FN7O2
Molecular Weight393.38 g/mol
Exact Mass393.13
IUPAC Name2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)oxolane-3-carboxamide
SMILESO=C(Nc1ncnc2[nH]ncc12)C1CCOC1c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C19H16FN7O2/c20-14-3-1-2-4-15(14)27-9-11(7-24-27)16-12(5-6-29-16)19(28)25-17-13-8-23-26-18(13)22-10-21-17/h1-4,7-10,12,16H,5-6H2,(H2,21,22,23,25,26,28)
InChIKeyCKWWJHBYLYYXNJ-UHFFFAOYSA-N
XLogP2.39
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)oxolane-3-carboxamide?
The IUPAC name of 2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)oxolane-3-carboxamide (CID 167759431) is 2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)oxolane-3-carboxamide.
What is the SMILES notation for 2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)oxolane-3-carboxamide?
The canonical SMILES for 2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)oxolane-3-carboxamide is O=C(Nc1ncnc2[nH]ncc12)C1CCOC1c1cnn(-c2ccccc2F)c1.
What is the InChIKey of 2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)oxolane-3-carboxamide?
The InChIKey is CKWWJHBYLYYXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN7O2/c20-14-3-1-2-4-15(14)27-9-11(7-24-27)16-12(5-6-29-16)19(28)25-17-13-8-23-26-18(13)22-10-21-17/h1-4,7-10,12,16H,5-6H2,(H2,21,22,23,25,26,28).
What are the key properties of 2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)oxolane-3-carboxamide?
2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)oxolane-3-carboxamide has a molecular weight of 393.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)oxolane-3-carboxamide is sourced from PubChem (CID 167759431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).