7-fluoro-N,2,3-trimethyl-N-[(1-phenylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide

C22H20FN5O — CID 55823560

IUPAC7-fluoro-N,2,3-trimethyl-N-[(1-phenylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide
SMILESCc1nc2cc(F)cc(C(=O)N(C)Cc3cnn(-c4ccccc4)c3)c2nc1C
InChIInChI=1S/C22H20FN5O/c1-14-15(2)26-21-19(9-17(23)10-20(21)25-14)22(29)27(3)12-16-11-24-28(13-16)18-7-5-4-6-8-18/h4-11,13H,12H2,1-3H3
InChIKeyRYTZTMWZGCHDKH-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.84
Rot. Bonds4

About 7-fluoro-N,2,3-trimethyl-N-[(1-phenylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide

7-fluoro-N,2,3-trimethyl-N-[(1-phenylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide (PubChem CID 55823560) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is 7-fluoro-N,2,3-trimethyl-N-[(1-phenylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide.

Molecular Properties

Compound Name7-fluoro-N,2,3-trimethyl-N-[(1-phenylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide
PubChem CID55823560
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC Name7-fluoro-N,2,3-trimethyl-N-[(1-phenylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide
SMILESCc1nc2cc(F)cc(C(=O)N(C)Cc3cnn(-c4ccccc4)c3)c2nc1C
InChIInChI=1S/C22H20FN5O/c1-14-15(2)26-21-19(9-17(23)10-20(21)25-14)22(29)27(3)12-16-11-24-28(13-16)18-7-5-4-6-8-18/h4-11,13H,12H2,1-3H3
InChIKeyRYTZTMWZGCHDKH-UHFFFAOYSA-N
XLogP3.84
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24551539
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CID 17449715
2-hydroxy-N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 51237804
N,4-dimethyl-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide
CID 72873937
3,4-difluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950370
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8810657
N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78830424
3-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 70742540
3-fluoro-4-methoxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8962106
2-chloro-N-methyl-5-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 78820035
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 17422564
2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166271

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N,2,3-trimethyl-N-[(1-phenylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide?
The IUPAC name of 7-fluoro-N,2,3-trimethyl-N-[(1-phenylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide (CID 55823560) is 7-fluoro-N,2,3-trimethyl-N-[(1-phenylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide.
What is the SMILES notation for 7-fluoro-N,2,3-trimethyl-N-[(1-phenylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide?
The canonical SMILES for 7-fluoro-N,2,3-trimethyl-N-[(1-phenylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide is Cc1nc2cc(F)cc(C(=O)N(C)Cc3cnn(-c4ccccc4)c3)c2nc1C.
What is the InChIKey of 7-fluoro-N,2,3-trimethyl-N-[(1-phenylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide?
The InChIKey is RYTZTMWZGCHDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c1-14-15(2)26-21-19(9-17(23)10-20(21)25-14)22(29)27(3)12-16-11-24-28(13-16)18-7-5-4-6-8-18/h4-11,13H,12H2,1-3H3.
What are the key properties of 7-fluoro-N,2,3-trimethyl-N-[(1-phenylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide?
7-fluoro-N,2,3-trimethyl-N-[(1-phenylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N,2,3-trimethyl-N-[(1-phenylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide is sourced from PubChem (CID 55823560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).