5-cyclopropyl-N-[2-(diethylamino)ethyl]-N-ethyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide;N-[4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide;1-(4-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide;3-methyl-N-[3-methyl-4-(4-methylphenyl)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide;[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone

C121H128F4N22O8S2 — CID 160557562

About 5-cyclopropyl-N-[2-(diethylamino)ethyl]-N-ethyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide;N-[4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide;1-(4-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide;3-methyl-N-[3-methyl-4-(4-methylphenyl)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide;[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone

5-cyclopropyl-N-[2-(diethylamino)ethyl]-N-ethyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide;N-[4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide;1-(4-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide;3-methyl-N-[3-methyl-4-(4-methylphenyl)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide;[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone (PubChem CID 160557562) has the molecular formula C121H128F4N22O8S2 and a molecular weight of 2158.63 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(diethylamino)ethyl]-N-ethyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide;N-[4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide;1-(4-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide;3-methyl-N-[3-methyl-4-(4-methylphenyl)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide;[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

• Compound Name: 5-cyclopropyl-N-[2-(diethylamino)ethyl]-N-ethyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide;N-[4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide;1-(4-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide;3-methyl-N-[3-methyl-4-(4-methylphenyl)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide;[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone
• PubChem CID: 160557562
• Molecular Formula: C121H128F4N22O8S2
• Molecular Weight: 2158.63 g/mol
• Exact Mass: 2156.97
• IUPAC Name: 5-cyclopropyl-N-[2-(diethylamino)ethyl]-N-ethyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide;N-[4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide;1-(4-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide;3-methyl-N-[3-methyl-4-(4-methylphenyl)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide;[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone
• SMILES: CCCN1CCN(C(=O)c2cnn(-c3nccc(-c4cccs4)n3)c2C(C)C)CC1.CCN(CC)CCN(CC)C(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1C1CC1.Cc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1.Cc1ccc(C2c3c(C)nn(-c4ccccc4)c3NC(=O)C2NC(=O)c2cccc(C)c2)cc1.Cc1cccc(C(=O)NC2C(=O)Nc3c(c(C)nn3-c3ccccc3)C2c2ccc(F)cc2)c1
• InChI: InChI=1S/C28H26N4O2.C27H23FN4O2.C23H30N6OS.C22H28N6OS.C21H21F3N2O2/c1-17-12-14-20(15-13-17)24-23-19(3)31-32(22-10-5-4-6-11-22)26(23)30-28(34)25(24)29-27(33)21-9-7-8-18(2)16-21;1-16-7-6-8-19(15-16)26(33)29-24-23(18-11-13-20(28)14-12-18)22-17(2)31-32(25(22)30-27(24)34)21-9-4-3-5-10-21;1-4-27(5-2)13-14-28(6-3)22(30)18-16-25-29(21(18)17-9-10-17)23-24-12-11-19(26-23)20-8-7-15-31-20;1-4-9-26-10-12-27(13-11-26)21(29)17-15-24-28(20(17)16(2)3)22-23-8-7-18(25-22)19-6-5-14-30-19;1-14-5-7-16(8-6-14)20(28)26-11-9-15(10-12-26)19(27)25-18-4-2-3-17(13-18)21(22,23)24/h4-16,24-25H,1-3H3,(H,29,33)(H,30,34);3-15,23-24H,1-2H3,(H,29,33)(H,30,34);7-8,11-12,15-17H,4-6,9-10,13-14H2,1-3H3;5-8,14-16H,4,9-13H2,1-3H3;2-8,13,15H,9-12H2,1H3,(H,25,27)
• InChIKey: QYWPWQOCKIYYDU-UHFFFAOYSA-N
• XLogP: 21.45
• TPSA: 335.75 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 27
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2158.63
LogP ≤ 5	21.45
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(diethylamino)ethyl]-N-ethyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide;N-[4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide;1-(4-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide;3-methyl-N-[3-methyl-4-(4-methylphenyl)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide;[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone?

The IUPAC name of 5-cyclopropyl-N-[2-(diethylamino)ethyl]-N-ethyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide;N-[4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide;1-(4-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide;3-methyl-N-[3-methyl-4-(4-methylphenyl)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide;[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone (CID 160557562) is 5-cyclopropyl-N-[2-(diethylamino)ethyl]-N-ethyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide;N-[4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide;1-(4-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide;3-methyl-N-[3-methyl-4-(4-methylphenyl)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide;[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone.

What is the SMILES notation for 5-cyclopropyl-N-[2-(diethylamino)ethyl]-N-ethyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide;N-[4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide;1-(4-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide;3-methyl-N-[3-methyl-4-(4-methylphenyl)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide;[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone?

The canonical SMILES for 5-cyclopropyl-N-[2-(diethylamino)ethyl]-N-ethyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide;N-[4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide;1-(4-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide;3-methyl-N-[3-methyl-4-(4-methylphenyl)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide;[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(C(=O)c2cnn(-c3nccc(-c4cccs4)n3)c2C(C)C)CC1.CCN(CC)CCN(CC)C(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1C1CC1.Cc1ccc(C(=O)N2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1.Cc1ccc(C2c3c(C)nn(-c4ccccc4)c3NC(=O)C2NC(=O)c2cccc(C)c2)cc1.Cc1cccc(C(=O)NC2C(=O)Nc3c(c(C)nn3-c3ccccc3)C2c2ccc(F)cc2)c1.

What is the InChIKey of 5-cyclopropyl-N-[2-(diethylamino)ethyl]-N-ethyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide;N-[4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide;1-(4-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide;3-methyl-N-[3-methyl-4-(4-methylphenyl)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide;[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone?

The InChIKey is QYWPWQOCKIYYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2.C27H23FN4O2.C23H30N6OS.C22H28N6OS.C21H21F3N2O2/c1-17-12-14-20(15-13-17)24-23-19(3)31-32(22-10-5-4-6-11-22)26(23)30-28(34)25(24)29-27(33)21-9-7-8-18(2)16-21;1-16-7-6-8-19(15-16)26(33)29-24-23(18-11-13-20(28)14-12-18)22-17(2)31-32(25(22)30-27(24)34)21-9-4-3-5-10-21;1-4-27(5-2)13-14-28(6-3)22(30)18-16-25-29(21(18)17-9-10-17)23-24-12-11-19(26-23)20-8-7-15-31-20;1-4-9-26-10-12-27(13-11-26)21(29)17-15-24-28(20(17)16(2)3)22-23-8-7-18(25-22)19-6-5-14-30-19;1-14-5-7-16(8-6-14)20(28)26-11-9-15(10-12-26)19(27)25-18-4-2-3-17(13-18)21(22,23)24/h4-16,24-25H,1-3H3,(H,29,33)(H,30,34);3-15,23-24H,1-2H3,(H,29,33)(H,30,34);7-8,11-12,15-17H,4-6,9-10,13-14H2,1-3H3;5-8,14-16H,4,9-13H2,1-3H3;2-8,13,15H,9-12H2,1H3,(H,25,27).

What are the key properties of 5-cyclopropyl-N-[2-(diethylamino)ethyl]-N-ethyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide;N-[4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide;1-(4-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide;3-methyl-N-[3-methyl-4-(4-methylphenyl)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide;[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone?

5-cyclopropyl-N-[2-(diethylamino)ethyl]-N-ethyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide;N-[4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide;1-(4-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide;3-methyl-N-[3-methyl-4-(4-methylphenyl)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide;[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone has a molecular weight of 2158.63 g/mol, XLogP of 21.45, 27 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-N-[2-(diethylamino)ethyl]-N-ethyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide;N-[4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide;1-(4-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide;3-methyl-N-[3-methyl-4-(4-methylphenyl)-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]benzamide;[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 160557562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).