7-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C23H24FN7O5 — CID 59460697

IUPAC7-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC(=O)NC(C)(C)C)n4ncc(F)c4n3)cc21
InChIInChI=1S/C23H24FN7O5/c1-23(2,3)29-18(32)11-26-21(34)16-8-14(28-19-13(24)10-27-31(16)19)20(33)25-9-12-5-6-17-15(7-12)30(4)22(35)36-17/h5-8,10H,9,11H2,1-4H3,(H,25,33)(H,26,34)(H,29,32)
InChIKeyUBWAOCILTPHKFS-UHFFFAOYSA-N
MW497.49 g/mol
LogP0.89
Rot. Bonds6

About 7-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

7-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 59460697) has the molecular formula C23H24FN7O5 and a molecular weight of 497.49 g/mol. Its IUPAC name is 7-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID59460697
Molecular FormulaC23H24FN7O5
Molecular Weight497.49 g/mol
Exact Mass497.18
IUPAC Name7-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC(=O)NC(C)(C)C)n4ncc(F)c4n3)cc21
InChIInChI=1S/C23H24FN7O5/c1-23(2,3)29-18(32)11-26-21(34)16-8-14(28-19-13(24)10-27-31(16)19)20(33)25-9-12-5-6-17-15(7-12)30(4)22(35)36-17/h5-8,10H,9,11H2,1-4H3,(H,25,33)(H,26,34)(H,29,32)
InChIKeyUBWAOCILTPHKFS-UHFFFAOYSA-N
XLogP0.89
TPSA152.63 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.49
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 7-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 7-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 59460697) is 7-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 7-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 7-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC(=O)NC(C)(C)C)n4ncc(F)c4n3)cc21.
What is the InChIKey of 7-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is UBWAOCILTPHKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O5/c1-23(2,3)29-18(32)11-26-21(34)16-8-14(28-19-13(24)10-27-31(16)19)20(33)25-9-12-5-6-17-15(7-12)30(4)22(35)36-17/h5-8,10H,9,11H2,1-4H3,(H,25,33)(H,26,34)(H,29,32).
What are the key properties of 7-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
7-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 497.49 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[2-(tert-butylamino)-2-oxoethyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 59460697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).