4-chloro-N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]benzamide

C53H50ClN15O7 — CID 157182481

IUPAC4-chloro-N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]benzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cc2)n(-c2nc(C3CC3)cc(=O)[nH]2)n1.Cc1cc(NC(=O)c2ccccc2)n(-c2nc3c(c(=O)[nH]2)CCCC3)n1.Cc1cc(NC(=O)c2ccco2)n(-c2nc(C3CC3)cc(=O)[nH]2)n1
InChIInChI=1S/C19H19N5O2.C18H16ClN5O2.C16H15N5O3/c1-12-11-16(21-17(25)13-7-3-2-4-8-13)24(23-12)19-20-15-10-6-5-9-14(15)18(26)22-19;1-10-8-15(21-17(26)12-4-6-13(19)7-5-12)24(23-10)18-20-14(11-2-3-11)9-16(25)22-18;1-9-7-13(18-15(23)12-3-2-6-24-12)21(20-9)16-17-11(10-4-5-10)8-14(22)19-16/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,21,25)(H,20,22,26);4-9,11H,2-3H2,1H3,(H,21,26)(H,20,22,25);2-3,6-8,10H,4-5H2,1H3,(H,18,23)(H,17,19,22)
InChIKeyAOSOGJNSFDPNTP-UHFFFAOYSA-N
MW1044.53 g/mol
LogP7.43
Rot. Bonds11

About 4-chloro-N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]benzamide

4-chloro-N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]benzamide (PubChem CID 157182481) has the molecular formula C53H50ClN15O7 and a molecular weight of 1044.53 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]benzamide
PubChem CID157182481
Molecular FormulaC53H50ClN15O7
Molecular Weight1044.53 g/mol
Exact Mass1043.37
IUPAC Name4-chloro-N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]benzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cc2)n(-c2nc(C3CC3)cc(=O)[nH]2)n1.Cc1cc(NC(=O)c2ccccc2)n(-c2nc3c(c(=O)[nH]2)CCCC3)n1.Cc1cc(NC(=O)c2ccco2)n(-c2nc(C3CC3)cc(=O)[nH]2)n1
InChIInChI=1S/C19H19N5O2.C18H16ClN5O2.C16H15N5O3/c1-12-11-16(21-17(25)13-7-3-2-4-8-13)24(23-12)19-20-15-10-6-5-9-14(15)18(26)22-19;1-10-8-15(21-17(26)12-4-6-13(19)7-5-12)24(23-10)18-20-14(11-2-3-11)9-16(25)22-18;1-9-7-13(18-15(23)12-3-2-6-24-12)21(20-9)16-17-11(10-4-5-10)8-14(22)19-16/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,21,25)(H,20,22,26);4-9,11H,2-3H2,1H3,(H,21,26)(H,20,22,25);2-3,6-8,10H,4-5H2,1H3,(H,18,23)(H,17,19,22)
InChIKeyAOSOGJNSFDPNTP-UHFFFAOYSA-N
XLogP7.43
TPSA291.15 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms76
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001044.53
LogP ≤ 57.43
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze 4-chloro-N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]benzamide?
The IUPAC name of 4-chloro-N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]benzamide (CID 157182481) is 4-chloro-N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]benzamide is Cc1cc(NC(=O)c2ccc(Cl)cc2)n(-c2nc(C3CC3)cc(=O)[nH]2)n1.Cc1cc(NC(=O)c2ccccc2)n(-c2nc3c(c(=O)[nH]2)CCCC3)n1.Cc1cc(NC(=O)c2ccco2)n(-c2nc(C3CC3)cc(=O)[nH]2)n1.
What is the InChIKey of 4-chloro-N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]benzamide?
The InChIKey is AOSOGJNSFDPNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2.C18H16ClN5O2.C16H15N5O3/c1-12-11-16(21-17(25)13-7-3-2-4-8-13)24(23-12)19-20-15-10-6-5-9-14(15)18(26)22-19;1-10-8-15(21-17(26)12-4-6-13(19)7-5-12)24(23-10)18-20-14(11-2-3-11)9-16(25)22-18;1-9-7-13(18-15(23)12-3-2-6-24-12)21(20-9)16-17-11(10-4-5-10)8-14(22)19-16/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,21,25)(H,20,22,26);4-9,11H,2-3H2,1H3,(H,21,26)(H,20,22,25);2-3,6-8,10H,4-5H2,1H3,(H,18,23)(H,17,19,22).
What are the key properties of 4-chloro-N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]benzamide?
4-chloro-N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]benzamide has a molecular weight of 1044.53 g/mol, XLogP of 7.43, 11 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide;N-[2-(4-cyclopropyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide;N-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 157182481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).