5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C28H23N7O4 — CID 158622000

IUPAC5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESO=C1COc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc(C5=NN=CC5)cc4)n4nccc4n3)cc2C1
InChIInChI=1S/C28H23N7O4/c36-21-12-20-11-18(3-6-25(20)39-16-21)15-29-27(37)23-13-24(35-26(33-23)8-10-32-35)28(38)30-14-17-1-4-19(5-2-17)22-7-9-31-34-22/h1-6,8-11,13H,7,12,14-16H2,(H,29,37)(H,30,38)
InChIKeyQHYZWYWSWYYEHE-UHFFFAOYSA-N
MW521.54 g/mol
LogP2.27
Rot. Bonds7

About 5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 158622000) has the molecular formula C28H23N7O4 and a molecular weight of 521.54 g/mol. Its IUPAC name is 5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID158622000
Molecular FormulaC28H23N7O4
Molecular Weight521.54 g/mol
Exact Mass521.18
IUPAC Name5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESO=C1COc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc(C5=NN=CC5)cc4)n4nccc4n3)cc2C1
InChIInChI=1S/C28H23N7O4/c36-21-12-20-11-18(3-6-25(20)39-16-21)15-29-27(37)23-13-24(35-26(33-23)8-10-32-35)28(38)30-14-17-1-4-19(5-2-17)22-7-9-31-34-22/h1-6,8-11,13H,7,12,14-16H2,(H,29,37)(H,30,38)
InChIKeyQHYZWYWSWYYEHE-UHFFFAOYSA-N
XLogP2.27
TPSA139.41 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.54
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide with MolForge

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Related Compounds

7-N,7-N-dimethyl-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 160874817
3-fluoro-7-N-[(4-methylsulfonylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 162189516
7-N-[(4-acetyl-3-fluorophenyl)methyl]-3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 161242004
3-fluoro-7-N-(2-oxobutyl)-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 157429466
3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 162189515
7-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 24872582
3-fluoro-7-N-(1-methylazetidin-3-yl)-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 161060970
5-[[[3-fluoro-5-[(3-oxo-4H-chromen-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]thiophene-2-carboxylic acid
CID 146788188
tert-butyl 2-[[3-fluoro-5-[(3-oxo-4H-chromen-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]acetate
CID 158528928
N-(1,3-benzodioxol-5-ylmethyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110851790
1,4-dimethyl-4-[[[5-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 70321755
7-N-[(3-acetyl-4-fluorophenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59462813

Frequently Asked Questions

What is the IUPAC name of 5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 158622000) is 5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCc4ccc(C5=NN=CC5)cc4)n4nccc4n3)cc2C1.
What is the InChIKey of 5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is QHYZWYWSWYYEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N7O4/c36-21-12-20-11-18(3-6-25(20)39-16-21)15-29-27(37)23-13-24(35-26(33-23)8-10-32-35)28(38)30-14-17-1-4-19(5-2-17)22-7-9-31-34-22/h1-6,8-11,13H,7,12,14-16H2,(H,29,37)(H,30,38).
What are the key properties of 5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 521.54 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-[[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 158622000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).