7-(4-tert-butyl-5-oxo-1,3,4-oxadiazol-2-yl)-3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

C22H20FN7O5 — CID 25055583

IUPAC7-(4-tert-butyl-5-oxo-1,3,4-oxadiazol-2-yl)-3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)(C)n1nc(-c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3c(F)cnn23)oc1=O
InChIInChI=1S/C22H20FN7O5/c1-22(2,3)30-21(33)35-20(28-30)15-7-14(27-18-12(23)9-25-29(15)18)19(32)24-8-11-4-5-16-13(6-11)26-17(31)10-34-16/h4-7,9H,8,10H2,1-3H3,(H,24,32)(H,26,31)
InChIKeyAYCCHZCEEYHIBW-UHFFFAOYSA-N
MW481.44 g/mol
LogP1.70
Rot. Bonds4

About 7-(4-tert-butyl-5-oxo-1,3,4-oxadiazol-2-yl)-3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

7-(4-tert-butyl-5-oxo-1,3,4-oxadiazol-2-yl)-3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 25055583) has the molecular formula C22H20FN7O5 and a molecular weight of 481.44 g/mol. Its IUPAC name is 7-(4-tert-butyl-5-oxo-1,3,4-oxadiazol-2-yl)-3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-(4-tert-butyl-5-oxo-1,3,4-oxadiazol-2-yl)-3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID25055583
Molecular FormulaC22H20FN7O5
Molecular Weight481.44 g/mol
Exact Mass481.15
IUPAC Name7-(4-tert-butyl-5-oxo-1,3,4-oxadiazol-2-yl)-3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)(C)n1nc(-c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3c(F)cnn23)oc1=O
InChIInChI=1S/C22H20FN7O5/c1-22(2,3)30-21(33)35-20(28-30)15-7-14(27-18-12(23)9-25-29(15)18)19(32)24-8-11-4-5-16-13(6-11)26-17(31)10-34-16/h4-7,9H,8,10H2,1-3H3,(H,24,32)(H,26,31)
InChIKeyAYCCHZCEEYHIBW-UHFFFAOYSA-N
XLogP1.70
TPSA145.65 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.44
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 7-(4-tert-butyl-5-oxo-1,3,4-oxadiazol-2-yl)-3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-4-methyl-1-[[5-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 12000718
7-(2-Fluoro-4-methoxyphenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 155550453
7-(2-Fluoro-4-methoxyphenyl)-2-[(2-methyl-4-pyridinyl)oxymethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 155555318
US9777000, Example 3.7
CID 90383104
7-fluoro-3-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-4H-1,4-benzoxazine-6-carboxamide
CID 156093932
7-fluoro-N-[6-[4-(1-hydroxypropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 156093934
7-fluoro-2,2,4-trimethyl-3-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,4-benzoxazine-6-carboxamide
CID 156093963
N-[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-fluoro-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 156093972
7-fluoro-2,2-dimethyl-3-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-4H-1,4-benzoxazine-6-carboxamide
CID 156108390
7-fluoro-3-oxo-4-propan-2-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,4-benzoxazine-6-carboxamide
CID 156108391
7-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-4H-imidazo[5,1-c][1,4]benzoxazine-8-carboxamide
CID 156108398
7-fluoro-4-methyl-3-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,4-benzoxazine-6-carboxamide
CID 156108403

Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butyl-5-oxo-1,3,4-oxadiazol-2-yl)-3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 7-(4-tert-butyl-5-oxo-1,3,4-oxadiazol-2-yl)-3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 25055583) is 7-(4-tert-butyl-5-oxo-1,3,4-oxadiazol-2-yl)-3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-(4-tert-butyl-5-oxo-1,3,4-oxadiazol-2-yl)-3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 7-(4-tert-butyl-5-oxo-1,3,4-oxadiazol-2-yl)-3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is CC(C)(C)n1nc(-c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3c(F)cnn23)oc1=O.
What is the InChIKey of 7-(4-tert-butyl-5-oxo-1,3,4-oxadiazol-2-yl)-3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is AYCCHZCEEYHIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O5/c1-22(2,3)30-21(33)35-20(28-30)15-7-14(27-18-12(23)9-25-29(15)18)19(32)24-8-11-4-5-16-13(6-11)26-17(31)10-34-16/h4-7,9H,8,10H2,1-3H3,(H,24,32)(H,26,31).
What are the key properties of 7-(4-tert-butyl-5-oxo-1,3,4-oxadiazol-2-yl)-3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
7-(4-tert-butyl-5-oxo-1,3,4-oxadiazol-2-yl)-3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 481.44 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-tert-butyl-5-oxo-1,3,4-oxadiazol-2-yl)-3-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 25055583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).