N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-cyclopropyl-N-(4-ethoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-methyl-6-(4-methylpiperazin-1-yl)-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C62H63FN14O9 — CID 160818523

IUPACN-(1,3-benzodioxol-5-ylmethyl)-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-cyclopropyl-N-(4-ethoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-methyl-6-(4-methylpiperazin-1-yl)-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2c[nH]n3c(=O)cc(C4CC4)nc23)cc1.Cc1nc2c(C(=O)NCCc3ccccc3)c[nH]n2c(=O)c1N1CCN(C)CC1.Cc1nc2c(C(=O)NCc3ccc4c(c3)OCO4)c[nH]n2c(=O)c1Cc1ccccc1F
InChIInChI=1S/C23H19FN4O4.C21H26N6O2.C18H18N4O3/c1-13-16(9-15-4-2-3-5-18(15)24)23(30)28-21(27-13)17(11-26-28)22(29)25-10-14-6-7-19-20(8-14)32-12-31-19;1-15-18(26-12-10-25(2)11-13-26)21(29)27-19(24-15)17(14-23-27)20(28)22-9-8-16-6-4-3-5-7-16;1-2-25-13-7-5-12(6-8-13)20-18(24)14-10-19-22-16(23)9-15(11-3-4-11)21-17(14)22/h2-8,11,26H,9-10,12H2,1H3,(H,25,29);3-7,14,23H,8-13H2,1-2H3,(H,22,28);5-11,19H,2-4H2,1H3,(H,20,24)
InChIKeyFCBHCVCIFLROPM-UHFFFAOYSA-N
MW1167.27 g/mol
LogP6.33
Rot. Bonds15

About N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-cyclopropyl-N-(4-ethoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-methyl-6-(4-methylpiperazin-1-yl)-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-cyclopropyl-N-(4-ethoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-methyl-6-(4-methylpiperazin-1-yl)-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 160818523) has the molecular formula C62H63FN14O9 and a molecular weight of 1167.27 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-cyclopropyl-N-(4-ethoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-methyl-6-(4-methylpiperazin-1-yl)-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-cyclopropyl-N-(4-ethoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-methyl-6-(4-methylpiperazin-1-yl)-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID160818523
Molecular FormulaC62H63FN14O9
Molecular Weight1167.27 g/mol
Exact Mass1166.49
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-cyclopropyl-N-(4-ethoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-methyl-6-(4-methylpiperazin-1-yl)-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2c[nH]n3c(=O)cc(C4CC4)nc23)cc1.Cc1nc2c(C(=O)NCCc3ccccc3)c[nH]n2c(=O)c1N1CCN(C)CC1.Cc1nc2c(C(=O)NCc3ccc4c(c3)OCO4)c[nH]n2c(=O)c1Cc1ccccc1F
InChIInChI=1S/C23H19FN4O4.C21H26N6O2.C18H18N4O3/c1-13-16(9-15-4-2-3-5-18(15)24)23(30)28-21(27-13)17(11-26-28)22(29)25-10-14-6-7-19-20(8-14)32-12-31-19;1-15-18(26-12-10-25(2)11-13-26)21(29)27-19(24-15)17(14-23-27)20(28)22-9-8-16-6-4-3-5-7-16;1-2-25-13-7-5-12(6-8-13)20-18(24)14-10-19-22-16(23)9-15(11-3-4-11)21-17(14)22/h2-8,11,26H,9-10,12H2,1H3,(H,25,29);3-7,14,23H,8-13H2,1-2H3,(H,22,28);5-11,19H,2-4H2,1H3,(H,20,24)
InChIKeyFCBHCVCIFLROPM-UHFFFAOYSA-N
XLogP6.33
TPSA271.95 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds15
Heavy Atoms86
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001167.27
LogP ≤ 56.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Analyze N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-cyclopropyl-N-(4-ethoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-methyl-6-(4-methylpiperazin-1-yl)-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3638187
6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-N-[2-(4-methylphenyl)ethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 5051328
6-(1,3-benzodioxol-5-ylmethylamino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109370495
N-[2-(4-ethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110788126
N-(4-chlorophenyl)-5-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110089373
N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109212347
N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2-chlorophenyl)methyl]-6-[(4-chlorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-[(2-fluorophenyl)methyl]-5-methyl-7-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 161259556
5-(1-methyl-5-oxopyrrolidin-3-yl)-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46973398
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 42674257
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-ethoxyanilino)propanamide
CID 109022658
5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-oxo-N-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46973392
N-[4-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)phenyl]-2-fluorobenzamide
CID 15955548

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-cyclopropyl-N-(4-ethoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-methyl-6-(4-methylpiperazin-1-yl)-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-cyclopropyl-N-(4-ethoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-methyl-6-(4-methylpiperazin-1-yl)-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 160818523) is N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-cyclopropyl-N-(4-ethoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-methyl-6-(4-methylpiperazin-1-yl)-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-cyclopropyl-N-(4-ethoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-methyl-6-(4-methylpiperazin-1-yl)-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-cyclopropyl-N-(4-ethoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-methyl-6-(4-methylpiperazin-1-yl)-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCOc1ccc(NC(=O)c2c[nH]n3c(=O)cc(C4CC4)nc23)cc1.Cc1nc2c(C(=O)NCCc3ccccc3)c[nH]n2c(=O)c1N1CCN(C)CC1.Cc1nc2c(C(=O)NCc3ccc4c(c3)OCO4)c[nH]n2c(=O)c1Cc1ccccc1F.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-cyclopropyl-N-(4-ethoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-methyl-6-(4-methylpiperazin-1-yl)-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FCBHCVCIFLROPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O4.C21H26N6O2.C18H18N4O3/c1-13-16(9-15-4-2-3-5-18(15)24)23(30)28-21(27-13)17(11-26-28)22(29)25-10-14-6-7-19-20(8-14)32-12-31-19;1-15-18(26-12-10-25(2)11-13-26)21(29)27-19(24-15)17(14-23-27)20(28)22-9-8-16-6-4-3-5-7-16;1-2-25-13-7-5-12(6-8-13)20-18(24)14-10-19-22-16(23)9-15(11-3-4-11)21-17(14)22/h2-8,11,26H,9-10,12H2,1H3,(H,25,29);3-7,14,23H,8-13H2,1-2H3,(H,22,28);5-11,19H,2-4H2,1H3,(H,20,24).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-cyclopropyl-N-(4-ethoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-methyl-6-(4-methylpiperazin-1-yl)-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-cyclopropyl-N-(4-ethoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-methyl-6-(4-methylpiperazin-1-yl)-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1167.27 g/mol, XLogP of 6.33, 15 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-cyclopropyl-N-(4-ethoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-methyl-6-(4-methylpiperazin-1-yl)-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 160818523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).