N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-fluoro-4-hydroxy-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide

C20H21FN4O3 — CID 155520411

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-7-fluoro-4-hydroxy-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
SMILESCc1nn(C)cc1CNC(=O)c1c(O)c2cc(F)cc3c2n(c1=O)C(C)CC3
InChIInChI=1S/C20H21FN4O3/c1-10-4-5-12-6-14(21)7-15-17(12)25(10)20(28)16(18(15)26)19(27)22-8-13-9-24(3)23-11(13)2/h6-7,9-10,26H,4-5,8H2,1-3H3,(H,22,27)
InChIKeyYMGDSGIEODNXCS-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.33
Rot. Bonds3

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-fluoro-4-hydroxy-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-fluoro-4-hydroxy-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide (PubChem CID 155520411) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-fluoro-4-hydroxy-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-7-fluoro-4-hydroxy-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
PubChem CID155520411
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-7-fluoro-4-hydroxy-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
SMILESCc1nn(C)cc1CNC(=O)c1c(O)c2cc(F)cc3c2n(c1=O)C(C)CC3
InChIInChI=1S/C20H21FN4O3/c1-10-4-5-12-6-14(21)7-15-17(12)25(10)20(28)16(18(15)26)19(27)22-8-13-9-24(3)23-11(13)2/h6-7,9-10,26H,4-5,8H2,1-3H3,(H,22,27)
InChIKeyYMGDSGIEODNXCS-UHFFFAOYSA-N
XLogP2.33
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-fluoro-4-hydroxy-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-fluoro-4-hydroxy-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide (CID 155520411) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-fluoro-4-hydroxy-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-fluoro-4-hydroxy-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-fluoro-4-hydroxy-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide is Cc1nn(C)cc1CNC(=O)c1c(O)c2cc(F)cc3c2n(c1=O)C(C)CC3.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-fluoro-4-hydroxy-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
The InChIKey is YMGDSGIEODNXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-10-4-5-12-6-14(21)7-15-17(12)25(10)20(28)16(18(15)26)19(27)22-8-13-9-24(3)23-11(13)2/h6-7,9-10,26H,4-5,8H2,1-3H3,(H,22,27).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-fluoro-4-hydroxy-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-fluoro-4-hydroxy-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-7-fluoro-4-hydroxy-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide is sourced from PubChem (CID 155520411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).