4-chloro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide

C52H51ClFN15O7 — CID 157066814

IUPAC4-chloro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cc2)n(-c2nc(C(C)C)cc(=O)[nH]2)n1.Cc1cc(NC(=O)c2ccccc2F)n(-c2nc(C3CC3)cc(=O)[nH]2)n1.Cc1cc(NC(=O)c2ccco2)n(-c2nc(C(C)C)cc(=O)[nH]2)n1
InChIInChI=1S/C18H18ClN5O2.C18H16FN5O2.C16H17N5O3/c1-10(2)14-9-16(25)22-18(20-14)24-15(8-11(3)23-24)21-17(26)12-4-6-13(19)7-5-12;1-10-8-15(21-17(26)12-4-2-3-5-13(12)19)24(23-10)18-20-14(11-6-7-11)9-16(25)22-18;1-9(2)11-8-14(22)19-16(17-11)21-13(7-10(3)20-21)18-15(23)12-5-4-6-24-12/h4-10H,1-3H3,(H,21,26)(H,20,22,25);2-5,8-9,11H,6-7H2,1H3,(H,21,26)(H,20,22,25);4-9H,1-3H3,(H,18,23)(H,17,19,22)
InChIKeyABYWBUGTKCMHTH-UHFFFAOYSA-N
MW1052.53 g/mol
LogP8.06
Rot. Bonds12

About 4-chloro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide

4-chloro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide (PubChem CID 157066814) has the molecular formula C52H51ClFN15O7 and a molecular weight of 1052.53 g/mol. Its IUPAC name is 4-chloro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide
PubChem CID157066814
Molecular FormulaC52H51ClFN15O7
Molecular Weight1052.53 g/mol
Exact Mass1051.38
IUPAC Name4-chloro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cc2)n(-c2nc(C(C)C)cc(=O)[nH]2)n1.Cc1cc(NC(=O)c2ccccc2F)n(-c2nc(C3CC3)cc(=O)[nH]2)n1.Cc1cc(NC(=O)c2ccco2)n(-c2nc(C(C)C)cc(=O)[nH]2)n1
InChIInChI=1S/C18H18ClN5O2.C18H16FN5O2.C16H17N5O3/c1-10(2)14-9-16(25)22-18(20-14)24-15(8-11(3)23-24)21-17(26)12-4-6-13(19)7-5-12;1-10-8-15(21-17(26)12-4-2-3-5-13(12)19)24(23-10)18-20-14(11-6-7-11)9-16(25)22-18;1-9(2)11-8-14(22)19-16(17-11)21-13(7-10(3)20-21)18-15(23)12-5-4-6-24-12/h4-10H,1-3H3,(H,21,26)(H,20,22,25);2-5,8-9,11H,6-7H2,1H3,(H,21,26)(H,20,22,25);4-9H,1-3H3,(H,18,23)(H,17,19,22)
InChIKeyABYWBUGTKCMHTH-UHFFFAOYSA-N
XLogP8.06
TPSA291.15 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms76
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001052.53
LogP ≤ 58.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze 4-chloro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide?
The IUPAC name of 4-chloro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide (CID 157066814) is 4-chloro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide?
The canonical SMILES for 4-chloro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccc(Cl)cc2)n(-c2nc(C(C)C)cc(=O)[nH]2)n1.Cc1cc(NC(=O)c2ccccc2F)n(-c2nc(C3CC3)cc(=O)[nH]2)n1.Cc1cc(NC(=O)c2ccco2)n(-c2nc(C(C)C)cc(=O)[nH]2)n1.
What is the InChIKey of 4-chloro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide?
The InChIKey is ABYWBUGTKCMHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2.C18H16FN5O2.C16H17N5O3/c1-10(2)14-9-16(25)22-18(20-14)24-15(8-11(3)23-24)21-17(26)12-4-6-13(19)7-5-12;1-10-8-15(21-17(26)12-4-2-3-5-13(12)19)24(23-10)18-20-14(11-6-7-11)9-16(25)22-18;1-9(2)11-8-14(22)19-16(17-11)21-13(7-10(3)20-21)18-15(23)12-5-4-6-24-12/h4-10H,1-3H3,(H,21,26)(H,20,22,25);2-5,8-9,11H,6-7H2,1H3,(H,21,26)(H,20,22,25);4-9H,1-3H3,(H,18,23)(H,17,19,22).
What are the key properties of 4-chloro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide?
4-chloro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide has a molecular weight of 1052.53 g/mol, XLogP of 8.06, 12 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide;N-[5-methyl-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 157066814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).