N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]naphthalene-1-carboxamide

C22H14FN5O2 — CID 16811207

IUPACN-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]naphthalene-1-carboxamide
SMILESO=C(Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1cccc2ccccc12
InChIInChI=1S/C22H14FN5O2/c23-15-8-10-16(11-9-15)28-20-19(12-25-28)22(30)27(13-24-20)26-21(29)18-7-3-5-14-4-1-2-6-17(14)18/h1-13H,(H,26,29)
InChIKeyIVOIXXLWNVSBDX-UHFFFAOYSA-N
MW399.39 g/mol
LogP3.26
Rot. Bonds3

About N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]naphthalene-1-carboxamide

N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]naphthalene-1-carboxamide (PubChem CID 16811207) has the molecular formula C22H14FN5O2 and a molecular weight of 399.39 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]naphthalene-1-carboxamide
PubChem CID16811207
Molecular FormulaC22H14FN5O2
Molecular Weight399.39 g/mol
Exact Mass399.11
IUPAC NameN-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]naphthalene-1-carboxamide
SMILESO=C(Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1cccc2ccccc12
InChIInChI=1S/C22H14FN5O2/c23-15-8-10-16(11-9-15)28-20-19(12-25-28)22(30)27(13-24-20)26-21(29)18-7-3-5-14-4-1-2-6-17(14)18/h1-13H,(H,26,29)
InChIKeyIVOIXXLWNVSBDX-UHFFFAOYSA-N
XLogP3.26
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide
CID 16811190
4-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide
CID 16804090
N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 42525032
2-bromo-N-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide
CID 16804165
2-chloro-6-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide
CID 16804100
2-(2-fluorophenoxy)-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 16832691
2,4-dichloro-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide
CID 16811162
2-chloro-6-fluoro-N-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide
CID 16804172
5-bromo-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)furan-2-carboxamide
CID 16804132
2,5-dichloro-N-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide
CID 16804171
N-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 18586689
5-[2-(4-fluorophenyl)-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 7679716

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]naphthalene-1-carboxamide (CID 16811207) is N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]naphthalene-1-carboxamide is O=C(Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1cccc2ccccc12.
What is the InChIKey of N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]naphthalene-1-carboxamide?
The InChIKey is IVOIXXLWNVSBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FN5O2/c23-15-8-10-16(11-9-15)28-20-19(12-25-28)22(30)27(13-24-20)26-21(29)18-7-3-5-14-4-1-2-6-17(14)18/h1-13H,(H,26,29).
What are the key properties of N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]naphthalene-1-carboxamide?
N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]naphthalene-1-carboxamide has a molecular weight of 399.39 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 16811207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).