3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C24H26FN7O4 — CID 59461841

IUPAC3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCN1CCC(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3c(F)cnn23)CC1
InChIInChI=1S/C24H26FN7O4/c1-30-7-5-14(6-8-30)11-27-23(34)19-10-17(29-21-16(25)13-28-32(19)21)22(33)26-12-15-3-4-20-18(9-15)31(2)24(35)36-20/h3-4,9-10,13-14H,5-8,11-12H2,1-2H3,(H,26,33)(H,27,34)
InChIKeyPKXJOFIJHBJIBY-UHFFFAOYSA-N
MW495.52 g/mol
LogP1.31
Rot. Bonds6

About 3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 59461841) has the molecular formula C24H26FN7O4 and a molecular weight of 495.52 g/mol. Its IUPAC name is 3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID59461841
Molecular FormulaC24H26FN7O4
Molecular Weight495.52 g/mol
Exact Mass495.20
IUPAC Name3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCN1CCC(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3c(F)cnn23)CC1
InChIInChI=1S/C24H26FN7O4/c1-30-7-5-14(6-8-30)11-27-23(34)19-10-17(29-21-16(25)13-28-32(19)21)22(33)26-12-15-3-4-20-18(9-15)31(2)24(35)36-20/h3-4,9-10,13-14H,5-8,11-12H2,1-2H3,(H,26,33)(H,27,34)
InChIKeyPKXJOFIJHBJIBY-UHFFFAOYSA-N
XLogP1.31
TPSA126.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.52
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide with MolForge

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Related Compounds

5-[4-amino-6-[[(1S)-1-(5-methyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]pyrimidin-5-yl]-3H-1,3-benzoxazol-2-one
CID 73776209
4-(azetidine-1-carbonyl)-N-[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 165415238
4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,1,3-tetramethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 10624682
5-(4-methoxyphenyl)-N-[2-(4-morpholinyl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1100807
5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1111000
(R)-N-(5-(2-(3-fluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-6-methoxypicolinamide
CID 58386272
US9777000, Example 3.7
CID 90383104
US9777000, Example 3.52
CID 90383123
US9777000, Example 3.4
CID 90383186
US9951086, Example 233
CID 118172887
US9580432, Example 77
CID 118519768
N-{4-[(1R,3S,5S)-3-Amino-5-methylcyclohexyl]pyridin-3-yl}-3-(2,6-difluoro-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 118644461

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 59461841) is 3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is CN1CCC(CNC(=O)c2cc(C(=O)NCc3ccc4oc(=O)n(C)c4c3)nc3c(F)cnn23)CC1.
What is the InChIKey of 3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is PKXJOFIJHBJIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O4/c1-30-7-5-14(6-8-30)11-27-23(34)19-10-17(29-21-16(25)13-28-32(19)21)22(33)26-12-15-3-4-20-18(9-15)31(2)24(35)36-20/h3-4,9-10,13-14H,5-8,11-12H2,1-2H3,(H,26,33)(H,27,34).
What are the key properties of 3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 495.52 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 59461841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).