N-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide

C21H20FN7O2 — CID 136630539

IUPACN-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide
SMILESCc1cc(NC(=O)C2CCCC2)n(-c2nc3c(cnn3-c3ccccc3F)c(=O)[nH]2)n1
InChIInChI=1S/C21H20FN7O2/c1-12-10-17(24-19(30)13-6-2-3-7-13)29(27-12)21-25-18-14(20(31)26-21)11-23-28(18)16-9-5-4-8-15(16)22/h4-5,8-11,13H,2-3,6-7H2,1H3,(H,24,30)(H,25,26,31)
InChIKeyXQDNRQUSROHVDH-UHFFFAOYSA-N
MW421.44 g/mol
LogP2.87
Rot. Bonds4

About N-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide

N-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide (PubChem CID 136630539) has the molecular formula C21H20FN7O2 and a molecular weight of 421.44 g/mol. Its IUPAC name is N-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide
PubChem CID136630539
Molecular FormulaC21H20FN7O2
Molecular Weight421.44 g/mol
Exact Mass421.17
IUPAC NameN-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide
SMILESCc1cc(NC(=O)C2CCCC2)n(-c2nc3c(cnn3-c3ccccc3F)c(=O)[nH]2)n1
InChIInChI=1S/C21H20FN7O2/c1-12-10-17(24-19(30)13-6-2-3-7-13)29(27-12)21-25-18-14(20(31)26-21)11-23-28(18)16-9-5-4-8-15(16)22/h4-5,8-11,13H,2-3,6-7H2,1H3,(H,24,30)(H,25,26,31)
InChIKeyXQDNRQUSROHVDH-UHFFFAOYSA-N
XLogP2.87
TPSA110.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide (CID 136630539) is N-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide is Cc1cc(NC(=O)C2CCCC2)n(-c2nc3c(cnn3-c3ccccc3F)c(=O)[nH]2)n1.
What is the InChIKey of N-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide?
The InChIKey is XQDNRQUSROHVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN7O2/c1-12-10-17(24-19(30)13-6-2-3-7-13)29(27-12)21-25-18-14(20(31)26-21)11-23-28(18)16-9-5-4-8-15(16)22/h4-5,8-11,13H,2-3,6-7H2,1H3,(H,24,30)(H,25,26,31).
What are the key properties of N-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide?
N-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide has a molecular weight of 421.44 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 136630539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).