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

C20H24FN5O4 — CID 54681853

IUPACN-[[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
SMILESCNC(=O)c1cc(F)ccc1CNC(=O)c1nn2c(c1O)C(=O)N(C)CC2C(C)C
InChIInChI=1S/C20H24FN5O4/c1-10(2)14-9-25(4)20(30)16-17(27)15(24-26(14)16)19(29)23-8-11-5-6-12(21)7-13(11)18(28)22-3/h5-7,10,14,27H,8-9H2,1-4H3,(H,22,28)(H,23,29)
InChIKeyWFCQAUJDROHSRZ-UHFFFAOYSA-N
MW417.44 g/mol
LogP1.30
Rot. Bonds5

About 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

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 (PubChem CID 54681853) has the molecular formula C20H24FN5O4 and a molecular weight of 417.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[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
PubChem CID54681853
Molecular FormulaC20H24FN5O4
Molecular Weight417.44 g/mol
Exact Mass417.18
IUPAC NameN-[[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
SMILESCNC(=O)c1cc(F)ccc1CNC(=O)c1nn2c(c1O)C(=O)N(C)CC2C(C)C
InChIInChI=1S/C20H24FN5O4/c1-10(2)14-9-25(4)20(30)16-17(27)15(24-26(14)16)19(29)23-8-11-5-6-12(21)7-13(11)18(28)22-3/h5-7,10,14,27H,8-9H2,1-4H3,(H,22,28)(H,23,29)
InChIKeyWFCQAUJDROHSRZ-UHFFFAOYSA-N
XLogP1.30
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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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-fluoro-2-(methylcarbamoyl)phenyl]methyl]-5-methyl-4-oxo-7-phenyl-3-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 68953073
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
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
(7S)-3-hydroxy-5-methyl-4-oxo-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
CID 68952351
N-[4-[[4-fluoro-2-(methylcarbamoyl)phenyl]methylcarbamoyl]-5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-dien-11-yl]-N',N'-dimethyloxamide
CID 91609296
N-[(2,4-difluorophenyl)methyl]-2-hydrazinyl-9-hydroxy-6-methyl-7,10-dioxo-6,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),8-diene-11-carboxamide
CID 146205867
(10S,12S)-N-[(2,4-difluorophenyl)methyl]-4-hydroxy-2,5,11-trioxo-12-propan-2-yl-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6-diene-6-carboxamide
CID 118306402
5-[(4-fluorophenyl)methyl]-3-hydroxy-N,6-dimethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 54725391
5-fluoro-N-methyl-2-propan-2-ylbenzamide
CID 154975628
(5S,6R)-N-[(2,4-difluorophenyl)methyl]-10-hydroxy-6-methyl-8,11-dioxo-5-phenyl-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide
CID 54713672
(5S)-N-[(2,4-difluorophenyl)methyl]-10-hydroxy-5-methyl-8,11-dioxo-4-propan-2-yl-3-propyl-1,4,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide
CID 134378954

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC(=O)c1cc(F)ccc1CNC(=O)c1nn2c(c1O)C(=O)N(C)CC2C(C)C.
What is the InChIKey of 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?
The InChIKey is WFCQAUJDROHSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O4/c1-10(2)14-9-25(4)20(30)16-17(27)15(24-26(14)16)19(29)23-8-11-5-6-12(21)7-13(11)18(28)22-3/h5-7,10,14,27H,8-9H2,1-4H3,(H,22,28)(H,23,29).
What are the key properties of 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?
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 has a molecular weight of 417.44 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 54681853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).