5-bromo-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]furan-2-carboxamide

C19H15BrFN5O3 — CID 42391361

IUPAC5-bromo-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]furan-2-carboxamide
SMILESO=C(NCCn1ncc2c(=O)n(Cc3ccccc3F)cnc21)c1ccc(Br)o1
InChIInChI=1S/C19H15BrFN5O3/c20-16-6-5-15(29-16)18(27)22-7-8-26-17-13(9-24-26)19(28)25(11-23-17)10-12-3-1-2-4-14(12)21/h1-6,9,11H,7-8,10H2,(H,22,27)
InChIKeyONPDSBFTXJHWLJ-UHFFFAOYSA-N
MW460.26 g/mol
LogP2.57
Rot. Bonds6

About 5-bromo-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]furan-2-carboxamide

5-bromo-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]furan-2-carboxamide (PubChem CID 42391361) has the molecular formula C19H15BrFN5O3 and a molecular weight of 460.26 g/mol. Its IUPAC name is 5-bromo-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]furan-2-carboxamide
PubChem CID42391361
Molecular FormulaC19H15BrFN5O3
Molecular Weight460.26 g/mol
Exact Mass459.03
IUPAC Name5-bromo-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]furan-2-carboxamide
SMILESO=C(NCCn1ncc2c(=O)n(Cc3ccccc3F)cnc21)c1ccc(Br)o1
InChIInChI=1S/C19H15BrFN5O3/c20-16-6-5-15(29-16)18(27)22-7-8-26-17-13(9-24-26)19(28)25(11-23-17)10-12-3-1-2-4-14(12)21/h1-6,9,11H,7-8,10H2,(H,22,27)
InChIKeyONPDSBFTXJHWLJ-UHFFFAOYSA-N
XLogP2.57
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-fluorophenoxy)-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide
CID 42391341
N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3,4-dimethoxybenzamide
CID 42391287
2-bromo-N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]benzamide
CID 42391847
2-(4-chlorophenyl)-N-[2-[5-(naphthalen-1-ylmethyl)-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide
CID 40908716
4-(diethylsulfamoyl)-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]benzamide
CID 42391358
N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-naphthalen-2-yloxyacetamide
CID 42391334
2-(4-chlorophenyl)-N-[2-[5-[(2-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide
CID 42391895
N-[2-[5-[(4-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]benzamide
CID 41232246
N-[2-[5-[(4-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-naphthalen-1-ylacetamide
CID 42391494
(E)-3-(1,3-benzodioxol-5-yl)-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]prop-2-enamide
CID 97288890
N-[2-[5-[(4-bromophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]naphthalene-1-carboxamide
CID 42391079
N-[2-[5-[(4-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 41232649

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]furan-2-carboxamide (CID 42391361) is 5-bromo-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]furan-2-carboxamide is O=C(NCCn1ncc2c(=O)n(Cc3ccccc3F)cnc21)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]furan-2-carboxamide?
The InChIKey is ONPDSBFTXJHWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrFN5O3/c20-16-6-5-15(29-16)18(27)22-7-8-26-17-13(9-24-26)19(28)25(11-23-17)10-12-3-1-2-4-14(12)21/h1-6,9,11H,7-8,10H2,(H,22,27).
What are the key properties of 5-bromo-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]furan-2-carboxamide?
5-bromo-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]furan-2-carboxamide has a molecular weight of 460.26 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 42391361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).