3-(cyclopropylmethoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;4-methyl-2-(2-methylpropyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)isoquinoline-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide

C121H110F6N40O11S2 — CID 159730112

About 3-(cyclopropylmethoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;4-methyl-2-(2-methylpropyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)isoquinoline-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide

3-(cyclopropylmethoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;4-methyl-2-(2-methylpropyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)isoquinoline-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 159730112) has the molecular formula C121H110F6N40O11S2 and a molecular weight of 2478.60 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;4-methyl-2-(2-methylpropyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)isoquinoline-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

• Compound Name: 3-(cyclopropylmethoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;4-methyl-2-(2-methylpropyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)isoquinoline-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
• PubChem CID: 159730112
• Molecular Formula: C121H110F6N40O11S2
• Molecular Weight: 2478.60 g/mol
• Exact Mass: 2476.86
• IUPAC Name: 3-(cyclopropylmethoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;4-methyl-2-(2-methylpropyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)isoquinoline-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
• SMILES: CC(OCC1CC1)C(=O)CC1=NN=C(c2ccccn2)C1.Cc1c(C(=O)NC2=NN=C(c3ccccn3)C2)cnn1-c1ccc(C(F)(F)F)cn1.Cc1nc(CC(C)C)sc1C(=O)Nc1n[nH]c(-c2ccccn2)n1.O=C(CCN1C(=O)NC2(CCCCC2)C1=O)Nc1n[nH]c(-c2ccccn2)n1.O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1n[nH]c(-c2ccccn2)n1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1cccc(Cc2ncccn2)c1.O=C(Nc1nnc(-c2ccccn2)s1)c1nccc2ccccc12
• InChI: InChI=1S/C19H14F3N7O.C19H15N7O.C18H21N7O3.C17H11N5OS.C16H12F3N5O2.C16H18N6OS.C16H19N3O2/c1-11-13(10-25-29(11)17-6-5-12(9-24-17)19(20,21)22)18(30)26-16-8-15(27-28-16)14-4-2-3-7-23-14;27-18(24-19-23-17(25-26-19)15-7-1-2-8-20-15)14-6-3-5-13(11-14)12-16-21-9-4-10-22-16;26-13(20-16-21-14(23-24-16)12-6-2-5-10-19-12)7-11-25-15(27)18(22-17(25)28)8-3-1-4-9-18;23-15(14-12-6-2-1-5-11(12)8-10-19-14)20-17-22-21-16(24-17)13-7-3-4-9-18-13;17-16(18,19)26-11-6-4-10(5-7-11)9-13(25)21-15-22-14(23-24-15)12-3-1-2-8-20-12;1-9(2)8-12-18-10(3)13(24-12)15(23)20-16-19-14(21-22-16)11-6-4-5-7-17-11;1-11(21-10-12-5-6-12)16(20)9-13-8-15(19-18-13)14-4-2-3-7-17-14/h2-7,9-10H,8H2,1H3,(H,26,28,30);1-11H,12H2,(H2,23,24,25,26,27);2,5-6,10H,1,3-4,7-9,11H2,(H,22,28)(H2,20,21,23,24,26);1-10H,(H,20,22,23);1-8H,9H2,(H2,21,22,23,24,25);4-7,9H,8H2,1-3H3,(H2,19,20,21,22,23);2-4,7,11-12H,5-6,8-10H2,1H3
• InChIKey: NBDCFUBXVYXTQR-UHFFFAOYSA-N
• XLogP: 18.71
• TPSA: 673.54 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 41
• Rotatable Bonds: 33
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2478.60
LogP ≤ 5	18.71
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;4-methyl-2-(2-methylpropyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)isoquinoline-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?

The IUPAC name of 3-(cyclopropylmethoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;4-methyl-2-(2-methylpropyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)isoquinoline-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide (CID 159730112) is 3-(cyclopropylmethoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;4-methyl-2-(2-methylpropyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)isoquinoline-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide.

What is the SMILES notation for 3-(cyclopropylmethoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;4-methyl-2-(2-methylpropyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)isoquinoline-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?

The canonical SMILES for 3-(cyclopropylmethoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;4-methyl-2-(2-methylpropyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)isoquinoline-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide is CC(OCC1CC1)C(=O)CC1=NN=C(c2ccccn2)C1.Cc1c(C(=O)NC2=NN=C(c3ccccn3)C2)cnn1-c1ccc(C(F)(F)F)cn1.Cc1nc(CC(C)C)sc1C(=O)Nc1n[nH]c(-c2ccccn2)n1.O=C(CCN1C(=O)NC2(CCCCC2)C1=O)Nc1n[nH]c(-c2ccccn2)n1.O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1n[nH]c(-c2ccccn2)n1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1cccc(Cc2ncccn2)c1.O=C(Nc1nnc(-c2ccccn2)s1)c1nccc2ccccc12.

What is the InChIKey of 3-(cyclopropylmethoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;4-methyl-2-(2-methylpropyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)isoquinoline-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?

The InChIKey is NBDCFUBXVYXTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N7O.C19H15N7O.C18H21N7O3.C17H11N5OS.C16H12F3N5O2.C16H18N6OS.C16H19N3O2/c1-11-13(10-25-29(11)17-6-5-12(9-24-17)19(20,21)22)18(30)26-16-8-15(27-28-16)14-4-2-3-7-23-14;27-18(24-19-23-17(25-26-19)15-7-1-2-8-20-15)14-6-3-5-13(11-14)12-16-21-9-4-10-22-16;26-13(20-16-21-14(23-24-16)12-6-2-5-10-19-12)7-11-25-15(27)18(22-17(25)28)8-3-1-4-9-18;23-15(14-12-6-2-1-5-11(12)8-10-19-14)20-17-22-21-16(24-17)13-7-3-4-9-18-13;17-16(18,19)26-11-6-4-10(5-7-11)9-13(25)21-15-22-14(23-24-15)12-3-1-2-8-20-12;1-9(2)8-12-18-10(3)13(24-12)15(23)20-16-19-14(21-22-16)11-6-4-5-7-17-11;1-11(21-10-12-5-6-12)16(20)9-13-8-15(19-18-13)14-4-2-3-7-17-14/h2-7,9-10H,8H2,1H3,(H,26,28,30);1-11H,12H2,(H2,23,24,25,26,27);2,5-6,10H,1,3-4,7-9,11H2,(H,22,28)(H2,20,21,23,24,26);1-10H,(H,20,22,23);1-8H,9H2,(H2,21,22,23,24,25);4-7,9H,8H2,1-3H3,(H2,19,20,21,22,23);2-4,7,11-12H,5-6,8-10H2,1H3.

What are the key properties of 3-(cyclopropylmethoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;4-methyl-2-(2-methylpropyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)isoquinoline-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?

3-(cyclopropylmethoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;4-methyl-2-(2-methylpropyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)isoquinoline-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 2478.60 g/mol, XLogP of 18.71, 33 rotatable bonds, 11 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(cyclopropylmethoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;4-methyl-2-(2-methylpropyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)isoquinoline-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 159730112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).