N-[(4-fluorophenyl)methyl]-3-hydroxy-5-methyl-7-(2-methyl-1,3-thiazol-4-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

C19H18FN5O3S — CID 54698981

IUPACN-[(4-fluorophenyl)methyl]-3-hydroxy-5-methyl-7-(2-methyl-1,3-thiazol-4-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1nc(C2CN(C)C(=O)c3c(O)c(C(=O)NCc4ccc(F)cc4)nn32)cs1
InChIInChI=1S/C19H18FN5O3S/c1-10-22-13(9-29-10)14-8-24(2)19(28)16-17(26)15(23-25(14)16)18(27)21-7-11-3-5-12(20)6-4-11/h3-6,9,14,26H,7-8H2,1-2H3,(H,21,27)
InChIKeyWDVPFTRIPDCHPZ-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.10
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-3-hydroxy-5-methyl-7-(2-methyl-1,3-thiazol-4-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

N-[(4-fluorophenyl)methyl]-3-hydroxy-5-methyl-7-(2-methyl-1,3-thiazol-4-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 54698981) has the molecular formula C19H18FN5O3S and a molecular weight of 415.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-hydroxy-5-methyl-7-(2-methyl-1,3-thiazol-4-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-hydroxy-5-methyl-7-(2-methyl-1,3-thiazol-4-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID54698981
Molecular FormulaC19H18FN5O3S
Molecular Weight415.45 g/mol
Exact Mass415.11
IUPAC NameN-[(4-fluorophenyl)methyl]-3-hydroxy-5-methyl-7-(2-methyl-1,3-thiazol-4-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1nc(C2CN(C)C(=O)c3c(O)c(C(=O)NCc4ccc(F)cc4)nn32)cs1
InChIInChI=1S/C19H18FN5O3S/c1-10-22-13(9-29-10)14-8-24(2)19(28)16-17(26)15(23-25(14)16)18(27)21-7-11-3-5-12(20)6-4-11/h3-6,9,14,26H,7-8H2,1-2H3,(H,21,27)
InChIKeyWDVPFTRIPDCHPZ-UHFFFAOYSA-N
XLogP2.10
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-fluoro-2-[[[(7S)-3-hydroxy-5-methyl-4-oxo-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]amino]methyl]benzoic acid
CID 68952640
N-[(4-fluorophenyl)methyl]-3-hydroxy-5-methyl-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 54733961
N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443309
N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-3-hydroxy-5-methyl-4-oxo-7-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 54681853
2-cyclopentyl-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
CID 146000243
N-[(4-fluorophenyl)methyl]-6-hydroxy-1-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-7-carboxamide
CID 54680789
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methyl-3,4-dihydro-2H-quinolin-2-yl)-6-oxopyrimidine-4-carboxamide
CID 54703351
2-(1,4-dimethyl-5-oxopiperazin-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 54677494
N-[(4-fluorophenyl)methyl]-5-hydroxy-2-[[[2-(4-methylpiperazin-1-yl)acetyl]amino]methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 135602038
1-(4-fluorophenyl)sulfonyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidine-4-carboxamide
CID 24509082
2-(1-acetylpiperidin-3-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
CID 135601585
3-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]-4-methylpiperazine-1-carboxylic acid
CID 54711986

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-5-methyl-7-(2-methyl-1,3-thiazol-4-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-5-methyl-7-(2-methyl-1,3-thiazol-4-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 54698981) is N-[(4-fluorophenyl)methyl]-3-hydroxy-5-methyl-7-(2-methyl-1,3-thiazol-4-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-hydroxy-5-methyl-7-(2-methyl-1,3-thiazol-4-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-hydroxy-5-methyl-7-(2-methyl-1,3-thiazol-4-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is Cc1nc(C2CN(C)C(=O)c3c(O)c(C(=O)NCc4ccc(F)cc4)nn32)cs1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-hydroxy-5-methyl-7-(2-methyl-1,3-thiazol-4-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is WDVPFTRIPDCHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O3S/c1-10-22-13(9-29-10)14-8-24(2)19(28)16-17(26)15(23-25(14)16)18(27)21-7-11-3-5-12(20)6-4-11/h3-6,9,14,26H,7-8H2,1-2H3,(H,21,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-hydroxy-5-methyl-7-(2-methyl-1,3-thiazol-4-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-3-hydroxy-5-methyl-7-(2-methyl-1,3-thiazol-4-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-hydroxy-5-methyl-7-(2-methyl-1,3-thiazol-4-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 54698981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).