N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclopropanecarboxamide

C15H11F2N5O2 — CID 91157139

IUPACN-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1[nH]nc2nc(Oc3ccc(F)cc3F)ncc12)C1CC1
InChIInChI=1S/C15H11F2N5O2/c16-8-3-4-11(10(17)5-8)24-15-18-6-9-12(21-22-13(9)20-15)19-14(23)7-1-2-7/h3-7H,1-2H2,(H2,18,19,20,21,22,23)
InChIKeyRWYNAKYUKICTSS-UHFFFAOYSA-N
MW331.28 g/mol
LogP2.77
Rot. Bonds4

About N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclopropanecarboxamide

N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclopropanecarboxamide (PubChem CID 91157139) has the molecular formula C15H11F2N5O2 and a molecular weight of 331.28 g/mol. Its IUPAC name is N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclopropanecarboxamide
PubChem CID91157139
Molecular FormulaC15H11F2N5O2
Molecular Weight331.28 g/mol
Exact Mass331.09
IUPAC NameN-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1[nH]nc2nc(Oc3ccc(F)cc3F)ncc12)C1CC1
InChIInChI=1S/C15H11F2N5O2/c16-8-3-4-11(10(17)5-8)24-15-18-6-9-12(21-22-13(9)20-15)19-14(23)7-1-2-7/h3-7H,1-2H2,(H2,18,19,20,21,22,23)
InChIKeyRWYNAKYUKICTSS-UHFFFAOYSA-N
XLogP2.77
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclopropanecarboxamide (CID 91157139) is N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclopropanecarboxamide is O=C(Nc1[nH]nc2nc(Oc3ccc(F)cc3F)ncc12)C1CC1.
What is the InChIKey of N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclopropanecarboxamide?
The InChIKey is RWYNAKYUKICTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N5O2/c16-8-3-4-11(10(17)5-8)24-15-18-6-9-12(21-22-13(9)20-15)19-14(23)7-1-2-7/h3-7H,1-2H2,(H2,18,19,20,21,22,23).
What are the key properties of N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclopropanecarboxamide?
N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclopropanecarboxamide has a molecular weight of 331.28 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 91157139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).