N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopropanecarboxamide

C18H18FN5O2 — CID 40908753

IUPACN-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCn1ncc2c(=O)n(Cc3cccc(F)c3)cnc21)C1CC1
InChIInChI=1S/C18H18FN5O2/c19-14-3-1-2-12(8-14)10-23-11-21-16-15(18(23)26)9-22-24(16)7-6-20-17(25)13-4-5-13/h1-3,8-9,11,13H,4-7,10H2,(H,20,25)
InChIKeyRMUVUQIBFLHBNZ-UHFFFAOYSA-N
MW355.37 g/mol
LogP1.31
Rot. Bonds6

About N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopropanecarboxamide

N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopropanecarboxamide (PubChem CID 40908753) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopropanecarboxamide
PubChem CID40908753
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC NameN-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCn1ncc2c(=O)n(Cc3cccc(F)c3)cnc21)C1CC1
InChIInChI=1S/C18H18FN5O2/c19-14-3-1-2-12(8-14)10-23-11-21-16-15(18(23)26)9-22-24(16)7-6-20-17(25)13-4-5-13/h1-3,8-9,11,13H,4-7,10H2,(H,20,25)
InChIKeyRMUVUQIBFLHBNZ-UHFFFAOYSA-N
XLogP1.31
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopropanecarboxamide (CID 40908753) is N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopropanecarboxamide is O=C(NCCn1ncc2c(=O)n(Cc3cccc(F)c3)cnc21)C1CC1.
What is the InChIKey of N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is RMUVUQIBFLHBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c19-14-3-1-2-12(8-14)10-23-11-21-16-15(18(23)26)9-22-24(16)7-6-20-17(25)13-4-5-13/h1-3,8-9,11,13H,4-7,10H2,(H,20,25).
What are the key properties of N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopropanecarboxamide?
N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 355.37 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(3-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 40908753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).