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

C18H17F2N5O2 — CID 54585567

IUPACN-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclohexanecarboxamide
SMILESO=C(Nc1[nH]nc2nc(Oc3ccc(F)cc3F)ncc12)C1CCCCC1
InChIInChI=1S/C18H17F2N5O2/c19-11-6-7-14(13(20)8-11)27-18-21-9-12-15(24-25-16(12)23-18)22-17(26)10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,21,22,23,24,25,26)
InChIKeyQUZMUUYXVGRROL-UHFFFAOYSA-N
MW373.36 g/mol
LogP3.94
Rot. Bonds4

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

N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclohexanecarboxamide (PubChem CID 54585567) has the molecular formula C18H17F2N5O2 and a molecular weight of 373.36 g/mol. Its IUPAC name is N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclohexanecarboxamide
PubChem CID54585567
Molecular FormulaC18H17F2N5O2
Molecular Weight373.36 g/mol
Exact Mass373.14
IUPAC NameN-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclohexanecarboxamide
SMILESO=C(Nc1[nH]nc2nc(Oc3ccc(F)cc3F)ncc12)C1CCCCC1
InChIInChI=1S/C18H17F2N5O2/c19-11-6-7-14(13(20)8-11)27-18-21-9-12-15(24-25-16(12)23-18)22-17(26)10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,21,22,23,24,25,26)
InChIKeyQUZMUUYXVGRROL-UHFFFAOYSA-N
XLogP3.94
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,4-Difluorophenoxy)-N-(Tetrahydro-2h-Pyran-4-Yl)-1h-Pyrazolo[3,4-D]pyrimidin-3-Amine
CID 44517636
N-[4-(4-methoxyphenyl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2-phenylacetamide
CID 46206810
4-methoxy-N-(2-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)benzamide
CID 46237929
6-(2,4-difluorophenoxy)-N-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-amine
CID 15953837
6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-amine
CID 54581691
N-(6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)cyclopentanecarboxamide
CID 54581692
6-(2,4-difluorophenoxy)-N-(1-(methylsulfonyl)piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-amine
CID 54581693
N-(6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)cyclobutanecarboxamide
CID 54583645
1-(4-(6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-3-ylamino)piperidin-1-yl)ethanone
CID 54584630
N-(6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)isobutyramide
CID 54587577
3-cyclopentyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]propanamide
CID 68748693
2-(4-methoxyphenyl)-N'-(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)acetohydrazide
CID 1965120

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclohexanecarboxamide (CID 54585567) is N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclohexanecarboxamide is O=C(Nc1[nH]nc2nc(Oc3ccc(F)cc3F)ncc12)C1CCCCC1.
What is the InChIKey of N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclohexanecarboxamide?
The InChIKey is QUZMUUYXVGRROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O2/c19-11-6-7-14(13(20)8-11)27-18-21-9-12-15(24-25-16(12)23-18)22-17(26)10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,21,22,23,24,25,26).
What are the key properties of N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclohexanecarboxamide?
N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclohexanecarboxamide has a molecular weight of 373.36 g/mol, XLogP of 3.94, 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]cyclohexanecarboxamide is sourced from PubChem (CID 54585567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).