N-[4-[2-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]acetamide

C21H21FN4O2 — CID 135220632

IUPACN-[4-[2-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nn3c2OCC(C)(C)C3)ccn1
InChIInChI=1S/C21H21FN4O2/c1-13(27)24-17-10-15(8-9-23-17)18-19(14-4-6-16(22)7-5-14)25-26-11-21(2,3)12-28-20(18)26/h4-10H,11-12H2,1-3H3,(H,23,24,27)
InChIKeyUGVKXLCVQPSMQH-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.13
Rot. Bonds3

About N-[4-[2-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]acetamide

N-[4-[2-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]acetamide (PubChem CID 135220632) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[4-[2-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]acetamide
PubChem CID135220632
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC NameN-[4-[2-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nn3c2OCC(C)(C)C3)ccn1
InChIInChI=1S/C21H21FN4O2/c1-13(27)24-17-10-15(8-9-23-17)18-19(14-4-6-16(22)7-5-14)25-26-11-21(2,3)12-28-20(18)26/h4-10H,11-12H2,1-3H3,(H,23,24,27)
InChIKeyUGVKXLCVQPSMQH-UHFFFAOYSA-N
XLogP4.13
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-pyrazol-1-ylacetamide
CID 135220713
N-[4-[5-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]acetamide
CID 167130345
2-(4-fluorophenyl)-6,6-dimethyl-3-(6-methylpyrazolo[1,5-a]pyridin-5-yl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine
CID 169306126
N-[4-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-(oxan-3-yl)acetamide
CID 135220667
N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]acetamide
CID 90465331
N-[4-[2-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]-2-methylpropanamide
CID 135220702
N-[4-(2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-2-pyridinyl]acetamide
CID 136506173
N-[4-[5-(4-fluorophenyl)-3-methyl-2-[(R)-methylsulfinyl]imidazol-4-yl]-2-pyridinyl]acetamide
CID 53238836
N-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]-2-methylbutanamide
CID 129017983
N-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]cyclobutanecarboxamide
CID 129017972
N-[4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide
CID 176877371
N-[4-[5-acetyl-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]-2-cyclopropylacetamide
CID 167130311

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]acetamide (CID 135220632) is N-[4-[2-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nn3c2OCC(C)(C)C3)ccn1.
What is the InChIKey of N-[4-[2-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]acetamide?
The InChIKey is UGVKXLCVQPSMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-13(27)24-17-10-15(8-9-23-17)18-19(14-4-6-16(22)7-5-14)25-26-11-21(2,3)12-28-20(18)26/h4-10H,11-12H2,1-3H3,(H,23,24,27).
What are the key properties of N-[4-[2-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]acetamide?
N-[4-[2-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]acetamide has a molecular weight of 380.42 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 135220632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).