3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C21H20FN5O4 — CID 162189515

IUPAC3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(C)NC(=O)c1cc(C(=O)NCc2ccc3c(c2)CC(=O)CO3)nc2c(F)cnn12
InChIInChI=1S/C21H20FN5O4/c1-11(2)25-21(30)17-7-16(26-19-15(22)9-24-27(17)19)20(29)23-8-12-3-4-18-13(5-12)6-14(28)10-31-18/h3-5,7,9,11H,6,8,10H2,1-2H3,(H,23,29)(H,25,30)
InChIKeyVOCJPLGBBFARFU-UHFFFAOYSA-N
MW425.42 g/mol
LogP1.44
Rot. Bonds5

About 3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 162189515) has the molecular formula C21H20FN5O4 and a molecular weight of 425.42 g/mol. Its IUPAC name is 3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID162189515
Molecular FormulaC21H20FN5O4
Molecular Weight425.42 g/mol
Exact Mass425.15
IUPAC Name3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(C)NC(=O)c1cc(C(=O)NCc2ccc3c(c2)CC(=O)CO3)nc2c(F)cnn12
InChIInChI=1S/C21H20FN5O4/c1-11(2)25-21(30)17-7-16(26-19-15(22)9-24-27(17)19)20(29)23-8-12-3-4-18-13(5-12)6-14(28)10-31-18/h3-5,7,9,11H,6,8,10H2,1-2H3,(H,23,29)(H,25,30)
InChIKeyVOCJPLGBBFARFU-UHFFFAOYSA-N
XLogP1.44
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.42
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
tert-butyl 2-[[3-fluoro-5-[(3-oxo-4H-chromen-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]acetate
CID 158528928
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
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
7-N-[(3S)-1-tert-butyl-2-oxoazetidin-3-yl]-3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 159131825
7-acetyl-3-fluoro-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;1-adamantylmethanamine
CID 158810581
3-fluoro-5-N-[(2-oxo-3H-1-benzofuran-5-yl)methyl]-7-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 160949351
(2R)-2-[[3-fluoro-5-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]propanoic acid
CID 59462568
7-N-[(2S)-1-(cyclobutylamino)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 70947506
3-fluoro-7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59462030

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 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) is 3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is CC(C)NC(=O)c1cc(C(=O)NCc2ccc3c(c2)CC(=O)CO3)nc2c(F)cnn12.
What is the InChIKey of 3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is VOCJPLGBBFARFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O4/c1-11(2)25-21(30)17-7-16(26-19-15(22)9-24-27(17)19)20(29)23-8-12-3-4-18-13(5-12)6-14(28)10-31-18/h3-5,7,9,11H,6,8,10H2,1-2H3,(H,23,29)(H,25,30).
What are the key properties of 3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 425.42 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 162189515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).