N-[5-fluoro-1-(2-methoxyethyl)pyrazol-4-yl]-5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine

C15H14FN7O2 — CID 90104972

IUPACN-[5-fluoro-1-(2-methoxyethyl)pyrazol-4-yl]-5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCOCCn1ncc(Nc2nc(-c3ccco3)nc3cn[nH]c23)c1F
InChIInChI=1S/C15H14FN7O2/c1-24-6-4-23-13(16)10(8-18-23)20-15-12-9(7-17-22-12)19-14(21-15)11-3-2-5-25-11/h2-3,5,7-8H,4,6H2,1H3,(H,17,22)(H,19,20,21)
InChIKeyWZOLGLZZGJDWBL-UHFFFAOYSA-N
MW343.32 g/mol
LogP2.34
Rot. Bonds6

About N-[5-fluoro-1-(2-methoxyethyl)pyrazol-4-yl]-5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine

N-[5-fluoro-1-(2-methoxyethyl)pyrazol-4-yl]-5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 90104972) has the molecular formula C15H14FN7O2 and a molecular weight of 343.32 g/mol. Its IUPAC name is N-[5-fluoro-1-(2-methoxyethyl)pyrazol-4-yl]-5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[5-fluoro-1-(2-methoxyethyl)pyrazol-4-yl]-5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID90104972
Molecular FormulaC15H14FN7O2
Molecular Weight343.32 g/mol
Exact Mass343.12
IUPAC NameN-[5-fluoro-1-(2-methoxyethyl)pyrazol-4-yl]-5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCOCCn1ncc(Nc2nc(-c3ccco3)nc3cn[nH]c23)c1F
InChIInChI=1S/C15H14FN7O2/c1-24-6-4-23-13(16)10(8-18-23)20-15-12-9(7-17-22-12)19-14(21-15)11-3-2-5-25-11/h2-3,5,7-8H,4,6H2,1H3,(H,17,22)(H,19,20,21)
InChIKeyWZOLGLZZGJDWBL-UHFFFAOYSA-N
XLogP2.34
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-1-(2-methoxyethyl)pyrazol-4-yl]-5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-[5-fluoro-1-(2-methoxyethyl)pyrazol-4-yl]-5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine (CID 90104972) is N-[5-fluoro-1-(2-methoxyethyl)pyrazol-4-yl]-5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-[5-fluoro-1-(2-methoxyethyl)pyrazol-4-yl]-5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-[5-fluoro-1-(2-methoxyethyl)pyrazol-4-yl]-5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine is COCCn1ncc(Nc2nc(-c3ccco3)nc3cn[nH]c23)c1F.
What is the InChIKey of N-[5-fluoro-1-(2-methoxyethyl)pyrazol-4-yl]-5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is WZOLGLZZGJDWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN7O2/c1-24-6-4-23-13(16)10(8-18-23)20-15-12-9(7-17-22-12)19-14(21-15)11-3-2-5-25-11/h2-3,5,7-8H,4,6H2,1H3,(H,17,22)(H,19,20,21).
What are the key properties of N-[5-fluoro-1-(2-methoxyethyl)pyrazol-4-yl]-5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
N-[5-fluoro-1-(2-methoxyethyl)pyrazol-4-yl]-5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 343.32 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-1-(2-methoxyethyl)pyrazol-4-yl]-5-(furan-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 90104972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).