N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-6-quinolin-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C24H18FN5O2 — CID 156653381

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-6-quinolin-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2c(=O)[nH]c(-c3ccc4ccccc4n3)cn2n1)c1ccc(F)cc1
InChIInChI=1S/C24H18FN5O2/c1-14(15-6-9-17(25)10-7-15)26-23(31)20-12-22-24(32)28-21(13-30(22)29-20)19-11-8-16-4-2-3-5-18(16)27-19/h2-14H,1H3,(H,26,31)(H,28,32)/t14-/m1/s1
InChIKeyWMIBFQUNZYWHMT-CQSZACIVSA-N
MW427.44 g/mol
LogP3.87
Rot. Bonds4

About N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-6-quinolin-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-6-quinolin-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 156653381) has the molecular formula C24H18FN5O2 and a molecular weight of 427.44 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-6-quinolin-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-6-quinolin-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID156653381
Molecular FormulaC24H18FN5O2
Molecular Weight427.44 g/mol
Exact Mass427.14
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-6-quinolin-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2c(=O)[nH]c(-c3ccc4ccccc4n3)cn2n1)c1ccc(F)cc1
InChIInChI=1S/C24H18FN5O2/c1-14(15-6-9-17(25)10-7-15)26-23(31)20-12-22-24(32)28-21(13-30(22)29-20)19-11-8-16-4-2-3-5-18(16)27-19/h2-14H,1H3,(H,26,31)(H,28,32)/t14-/m1/s1
InChIKeyWMIBFQUNZYWHMT-CQSZACIVSA-N
XLogP3.87
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-fluorophenyl)-2-hydroxyethyl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 146848186
6-(3,4-dihydro-1H-isochromen-7-yl)-N-[1-(4-fluorophenyl)ethyl]-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 175114253
N-[1-(4-fluorophenyl)-3-hydroxypropyl]-6-(5-methylquinolin-3-yl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 175113691
2-N,6-N-bis[1-(4-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
CID 46430353
N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 148979862
N-[1-(4-fluorophenyl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136982729
[(2S)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] quinoline-2-carboxylate
CID 7812959
N-[1-(4-fluorophenyl)ethyl]-4-methoxyquinoline-2-carboxamide
CID 71824014
N-[(1S)-1-pyridin-4-ylethyl]quinoline-2-carboxamide
CID 30479872
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]quinoline-2-carboxamide
CID 9467467
6-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methyl-1-phenylpropyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 175114831
N-[(1S)-1-(4-fluorophenyl)ethyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 95051261

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-6-quinolin-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-6-quinolin-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 156653381) is N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-6-quinolin-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-6-quinolin-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-6-quinolin-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is C[C@@H](NC(=O)c1cc2c(=O)[nH]c(-c3ccc4ccccc4n3)cn2n1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-6-quinolin-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is WMIBFQUNZYWHMT-CQSZACIVSA-N. The full InChI is InChI=1S/C24H18FN5O2/c1-14(15-6-9-17(25)10-7-15)26-23(31)20-12-22-24(32)28-21(13-30(22)29-20)19-11-8-16-4-2-3-5-18(16)27-19/h2-14H,1H3,(H,26,31)(H,28,32)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-6-quinolin-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-6-quinolin-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 427.44 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-6-quinolin-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 156653381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).