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

C17H15F2N5O2 — CID 54581692

IUPACN-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclopentanecarboxamide
SMILESO=C(Nc1[nH]nc2nc(Oc3ccc(F)cc3F)ncc12)C1CCCC1
InChIInChI=1S/C17H15F2N5O2/c18-10-5-6-13(12(19)7-10)26-17-20-8-11-14(23-24-15(11)22-17)21-16(25)9-3-1-2-4-9/h5-9H,1-4H2,(H2,20,21,22,23,24,25)
InChIKeyYIUXEBHDDTWONL-UHFFFAOYSA-N
MW359.34 g/mol
LogP3.55
Rot. Bonds4

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

N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclopentanecarboxamide (PubChem CID 54581692) has the molecular formula C17H15F2N5O2 and a molecular weight of 359.34 g/mol. Its IUPAC name is N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclopentanecarboxamide
PubChem CID54581692
Molecular FormulaC17H15F2N5O2
Molecular Weight359.34 g/mol
Exact Mass359.12
IUPAC NameN-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclopentanecarboxamide
SMILESO=C(Nc1[nH]nc2nc(Oc3ccc(F)cc3F)ncc12)C1CCCC1
InChIInChI=1S/C17H15F2N5O2/c18-10-5-6-13(12(19)7-10)26-17-20-8-11-14(23-24-15(11)22-17)21-16(25)9-3-1-2-4-9/h5-9H,1-4H2,(H2,20,21,22,23,24,25)
InChIKeyYIUXEBHDDTWONL-UHFFFAOYSA-N
XLogP3.55
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 53.55
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
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
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)cyclohexanecarboxamide
CID 54585567
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-cyclopentyl-N-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]acetamide
CID 155518903
2-(4-methoxyphenyl)-N'-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)acetohydrazide
CID 939800

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclopentanecarboxamide (CID 54581692) is N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclopentanecarboxamide is O=C(Nc1[nH]nc2nc(Oc3ccc(F)cc3F)ncc12)C1CCCC1.
What is the InChIKey of N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclopentanecarboxamide?
The InChIKey is YIUXEBHDDTWONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O2/c18-10-5-6-13(12(19)7-10)26-17-20-8-11-14(23-24-15(11)22-17)21-16(25)9-3-1-2-4-9/h5-9H,1-4H2,(H2,20,21,22,23,24,25).
What are the key properties of N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclopentanecarboxamide?
N-[6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]cyclopentanecarboxamide has a molecular weight of 359.34 g/mol, XLogP of 3.55, 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]cyclopentanecarboxamide is sourced from PubChem (CID 54581692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).