1-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(5-methoxy-1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide

C107H104N30O8S2 — CID 157383280

IUPAC1-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(5-methoxy-1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide
SMILESCOc1ccc2c(c1)C=C(n1ccc(C(=O)Nc3cnccc3N3CCNCC3)n1)C2.O=C(Nc1cnccc1N1CCNCC1)c1ccn(-c2cc3ccccc3o2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccn(-c2cc3ccccc3s2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccn(-c2ccc3occc3c2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccn(-c2csc3ccccc23)n1
InChIInChI=1S/C23H24N6O2.2C21H20N6O2.2C21H20N6OS/c1-31-19-3-2-16-12-18(13-17(16)14-19)29-9-5-20(27-29)23(30)26-21-15-25-6-4-22(21)28-10-7-24-8-11-28;28-21(24-18-14-23-6-3-19(18)26-10-7-22-8-11-26)17-4-9-27(25-17)16-1-2-20-15(13-16)5-12-29-20;28-21(24-17-14-23-7-5-18(17)26-11-8-22-9-12-26)16-6-10-27(25-16)20-13-15-3-1-2-4-19(15)29-20;28-21(24-17-13-23-7-5-18(17)26-11-8-22-9-12-26)16-6-10-27(25-16)19-14-29-20-4-2-1-3-15(19)20;28-21(24-17-14-23-7-5-18(17)26-11-8-22-9-12-26)16-6-10-27(25-16)20-13-15-3-1-2-4-19(15)29-20/h2-6,9,13-15,24H,7-8,10-12H2,1H3,(H,26,30);1-6,9,12-14,22H,7-8,10-11H2,(H,24,28);3*1-7,10,13-14,22H,8-9,11-12H2,(H,24,28)
InChIKeyBLDFGYJRDMGSPH-UHFFFAOYSA-N
MW2002.34 g/mol
LogP14.14
Rot. Bonds21

About 1-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(5-methoxy-1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide

1-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(5-methoxy-1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide (PubChem CID 157383280) has the molecular formula C107H104N30O8S2 and a molecular weight of 2002.34 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(5-methoxy-1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(5-methoxy-1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide
PubChem CID157383280
Molecular FormulaC107H104N30O8S2
Molecular Weight2002.34 g/mol
Exact Mass2000.81
IUPAC Name1-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(5-methoxy-1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide
SMILESCOc1ccc2c(c1)C=C(n1ccc(C(=O)Nc3cnccc3N3CCNCC3)n1)C2.O=C(Nc1cnccc1N1CCNCC1)c1ccn(-c2cc3ccccc3o2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccn(-c2cc3ccccc3s2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccn(-c2ccc3occc3c2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccn(-c2csc3ccccc23)n1
InChIInChI=1S/C23H24N6O2.2C21H20N6O2.2C21H20N6OS/c1-31-19-3-2-16-12-18(13-17(16)14-19)29-9-5-20(27-29)23(30)26-21-15-25-6-4-22(21)28-10-7-24-8-11-28;28-21(24-18-14-23-6-3-19(18)26-10-7-22-8-11-26)17-4-9-27(25-17)16-1-2-20-15(13-16)5-12-29-20;28-21(24-17-14-23-7-5-18(17)26-11-8-22-9-12-26)16-6-10-27(25-16)20-13-15-3-1-2-4-19(15)29-20;28-21(24-17-13-23-7-5-18(17)26-11-8-22-9-12-26)16-6-10-27(25-16)19-14-29-20-4-2-1-3-15(19)20;28-21(24-17-14-23-7-5-18(17)26-11-8-22-9-12-26)16-6-10-27(25-16)20-13-15-3-1-2-4-19(15)29-20/h2-6,9,13-15,24H,7-8,10-12H2,1H3,(H,26,30);1-6,9,12-14,22H,7-8,10-11H2,(H,24,28);3*1-7,10,13-14,22H,8-9,11-12H2,(H,24,28)
InChIKeyBLDFGYJRDMGSPH-UHFFFAOYSA-N
XLogP14.14
TPSA410.91 Ų
H-Bond Donors10
H-Bond Acceptors35
Rotatable Bonds21
Heavy Atoms147
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002002.34
LogP ≤ 514.14
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1035

Analyze 1-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(5-methoxy-1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(5-methoxy-1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(5-methoxy-1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide (CID 157383280) is 1-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(5-methoxy-1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(5-methoxy-1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(5-methoxy-1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide is COc1ccc2c(c1)C=C(n1ccc(C(=O)Nc3cnccc3N3CCNCC3)n1)C2.O=C(Nc1cnccc1N1CCNCC1)c1ccn(-c2cc3ccccc3o2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccn(-c2cc3ccccc3s2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccn(-c2ccc3occc3c2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccn(-c2csc3ccccc23)n1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(5-methoxy-1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide?
The InChIKey is BLDFGYJRDMGSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2.2C21H20N6O2.2C21H20N6OS/c1-31-19-3-2-16-12-18(13-17(16)14-19)29-9-5-20(27-29)23(30)26-21-15-25-6-4-22(21)28-10-7-24-8-11-28;28-21(24-18-14-23-6-3-19(18)26-10-7-22-8-11-26)17-4-9-27(25-17)16-1-2-20-15(13-16)5-12-29-20;28-21(24-17-14-23-7-5-18(17)26-11-8-22-9-12-26)16-6-10-27(25-16)20-13-15-3-1-2-4-19(15)29-20;28-21(24-17-13-23-7-5-18(17)26-11-8-22-9-12-26)16-6-10-27(25-16)19-14-29-20-4-2-1-3-15(19)20;28-21(24-17-14-23-7-5-18(17)26-11-8-22-9-12-26)16-6-10-27(25-16)20-13-15-3-1-2-4-19(15)29-20/h2-6,9,13-15,24H,7-8,10-12H2,1H3,(H,26,30);1-6,9,12-14,22H,7-8,10-11H2,(H,24,28);3*1-7,10,13-14,22H,8-9,11-12H2,(H,24,28).
What are the key properties of 1-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(5-methoxy-1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide?
1-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(5-methoxy-1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide has a molecular weight of 2002.34 g/mol, XLogP of 14.14, 21 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(5-methoxy-1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide is sourced from PubChem (CID 157383280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).