N-[1-(4-fluorophenyl)-3-hydroxypropyl]-6-(5-methylquinolin-3-yl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C26H22FN5O3 — CID 175113691

IUPACN-[1-(4-fluorophenyl)-3-hydroxypropyl]-6-(5-methylquinolin-3-yl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cccc2ncc(-c3cn4nc(C(=O)NC(CCO)c5ccc(F)cc5)cc4c(=O)[nH]3)cc12
InChIInChI=1S/C26H22FN5O3/c1-15-3-2-4-21-19(15)11-17(13-28-21)23-14-32-24(26(35)30-23)12-22(31-32)25(34)29-20(9-10-33)16-5-7-18(27)8-6-16/h2-8,11-14,20,33H,9-10H2,1H3,(H,29,34)(H,30,35)
InChIKeyPQRJTGNIZABFJN-UHFFFAOYSA-N
MW471.49 g/mol
LogP3.54
Rot. Bonds6

About N-[1-(4-fluorophenyl)-3-hydroxypropyl]-6-(5-methylquinolin-3-yl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

N-[1-(4-fluorophenyl)-3-hydroxypropyl]-6-(5-methylquinolin-3-yl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 175113691) has the molecular formula C26H22FN5O3 and a molecular weight of 471.49 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-3-hydroxypropyl]-6-(5-methylquinolin-3-yl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-3-hydroxypropyl]-6-(5-methylquinolin-3-yl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID175113691
Molecular FormulaC26H22FN5O3
Molecular Weight471.49 g/mol
Exact Mass471.17
IUPAC NameN-[1-(4-fluorophenyl)-3-hydroxypropyl]-6-(5-methylquinolin-3-yl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cccc2ncc(-c3cn4nc(C(=O)NC(CCO)c5ccc(F)cc5)cc4c(=O)[nH]3)cc12
InChIInChI=1S/C26H22FN5O3/c1-15-3-2-4-21-19(15)11-17(13-28-21)23-14-32-24(26(35)30-23)12-22(31-32)25(34)29-20(9-10-33)16-5-7-18(27)8-6-16/h2-8,11-14,20,33H,9-10H2,1H3,(H,29,34)(H,30,35)
InChIKeyPQRJTGNIZABFJN-UHFFFAOYSA-N
XLogP3.54
TPSA112.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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
N-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-6-(5-methylquinolin-3-yl)-4-oxo-3-propan-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 146740684
6-(3,4-dimethylphenyl)-N-[(1R)-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-3-propan-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 156653393
6-(3,4-dimethylphenyl)-N-[(1R)-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-3-(trifluoromethyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 156653298
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-6-quinolin-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 156653381
6-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methyl-1-phenylpropyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 175114831
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-(3,5-dichlorophenoxy)propan-2-yl]-6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 147411509
N-[(1R)-3-hydroxy-1-phenylpropyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97117724
2-fluoro-N-(3-hydroxy-1-phenylpropyl)-3-methylbenzamide
CID 75496576
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55795787
N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 148979862

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-3-hydroxypropyl]-6-(5-methylquinolin-3-yl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-3-hydroxypropyl]-6-(5-methylquinolin-3-yl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 175113691) is N-[1-(4-fluorophenyl)-3-hydroxypropyl]-6-(5-methylquinolin-3-yl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-3-hydroxypropyl]-6-(5-methylquinolin-3-yl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-3-hydroxypropyl]-6-(5-methylquinolin-3-yl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is Cc1cccc2ncc(-c3cn4nc(C(=O)NC(CCO)c5ccc(F)cc5)cc4c(=O)[nH]3)cc12.
What is the InChIKey of N-[1-(4-fluorophenyl)-3-hydroxypropyl]-6-(5-methylquinolin-3-yl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is PQRJTGNIZABFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O3/c1-15-3-2-4-21-19(15)11-17(13-28-21)23-14-32-24(26(35)30-23)12-22(31-32)25(34)29-20(9-10-33)16-5-7-18(27)8-6-16/h2-8,11-14,20,33H,9-10H2,1H3,(H,29,34)(H,30,35).
What are the key properties of N-[1-(4-fluorophenyl)-3-hydroxypropyl]-6-(5-methylquinolin-3-yl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
N-[1-(4-fluorophenyl)-3-hydroxypropyl]-6-(5-methylquinolin-3-yl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 471.49 g/mol, XLogP of 3.54, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-3-hydroxypropyl]-6-(5-methylquinolin-3-yl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 175113691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).