N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[1-(3-propan-2-yloxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-5-yl)-N-[3-pyridin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]furan-2-carboxamide

C66H67F3N20O8 — CID 161383923

IUPACN-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[1-(3-propan-2-yloxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-5-yl)-N-[3-pyridin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]furan-2-carboxamide
SMILESCC(C)OC1CC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3ccccn3)n2)C1.CN1CCN(CCn2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3ccccn3)n2)CC1.O=C(Nc1cn(CCOCC(F)(F)F)nc1-c1ccccn1)c1ccc(-c2ccn[nH]2)o1
InChIInChI=1S/C23H26N8O2.C23H24N6O3.C20H17F3N6O3/c1-29-8-10-30(11-9-29)12-13-31-16-19(22(28-31)18-4-2-3-7-24-18)27-23(32)21-6-5-20(33-21)17-14-25-26-15-17;1-14(2)31-17-9-16(10-17)29-13-19(22(28-29)18-5-3-4-8-24-18)27-23(30)21-7-6-20(32-21)15-11-25-26-12-15;21-20(22,23)12-31-10-9-29-11-15(18(28-29)14-3-1-2-7-24-14)26-19(30)17-5-4-16(32-17)13-6-8-25-27-13/h2-7,14-16H,8-13H2,1H3,(H,25,26)(H,27,32);3-8,11-14,16-17H,9-10H2,1-2H3,(H,25,26)(H,27,30);1-8,11H,9-10,12H2,(H,25,27)(H,26,30)
InChIKeyVSBULSPJYKRSHT-UHFFFAOYSA-N
MW1325.39 g/mol
LogP10.50
Rot. Bonds22

About N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[1-(3-propan-2-yloxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-5-yl)-N-[3-pyridin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]furan-2-carboxamide

N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[1-(3-propan-2-yloxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-5-yl)-N-[3-pyridin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]furan-2-carboxamide (PubChem CID 161383923) has the molecular formula C66H67F3N20O8 and a molecular weight of 1325.39 g/mol. Its IUPAC name is N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[1-(3-propan-2-yloxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-5-yl)-N-[3-pyridin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[1-(3-propan-2-yloxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-5-yl)-N-[3-pyridin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]furan-2-carboxamide
PubChem CID161383923
Molecular FormulaC66H67F3N20O8
Molecular Weight1325.39 g/mol
Exact Mass1324.54
IUPAC NameN-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[1-(3-propan-2-yloxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-5-yl)-N-[3-pyridin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]furan-2-carboxamide
SMILESCC(C)OC1CC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3ccccn3)n2)C1.CN1CCN(CCn2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3ccccn3)n2)CC1.O=C(Nc1cn(CCOCC(F)(F)F)nc1-c1ccccn1)c1ccc(-c2ccn[nH]2)o1
InChIInChI=1S/C23H26N8O2.C23H24N6O3.C20H17F3N6O3/c1-29-8-10-30(11-9-29)12-13-31-16-19(22(28-31)18-4-2-3-7-24-18)27-23(32)21-6-5-20(33-21)17-14-25-26-15-17;1-14(2)31-17-9-16(10-17)29-13-19(22(28-29)18-5-3-4-8-24-18)27-23(30)21-7-6-20(32-21)15-11-25-26-12-15;21-20(22,23)12-31-10-9-29-11-15(18(28-29)14-3-1-2-7-24-14)26-19(30)17-5-4-16(32-17)13-6-8-25-27-13/h2-7,14-16H,8-13H2,1H3,(H,25,26)(H,27,32);3-8,11-14,16-17H,9-10H2,1-2H3,(H,25,26)(H,27,30);1-8,11H,9-10,12H2,(H,25,27)(H,26,30)
InChIKeyVSBULSPJYKRSHT-UHFFFAOYSA-N
XLogP10.50
TPSA329.83 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds22
Heavy Atoms97
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001325.39
LogP ≤ 510.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[1-(3-propan-2-yloxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-5-yl)-N-[3-pyridin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]furan-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[1-(3-propan-2-yloxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-5-yl)-N-[3-pyridin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[1-(3-propan-2-yloxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-5-yl)-N-[3-pyridin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]furan-2-carboxamide (CID 161383923) is N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[1-(3-propan-2-yloxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-5-yl)-N-[3-pyridin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[1-(3-propan-2-yloxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-5-yl)-N-[3-pyridin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[1-(3-propan-2-yloxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-5-yl)-N-[3-pyridin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]furan-2-carboxamide is CC(C)OC1CC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3ccccn3)n2)C1.CN1CCN(CCn2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3ccccn3)n2)CC1.O=C(Nc1cn(CCOCC(F)(F)F)nc1-c1ccccn1)c1ccc(-c2ccn[nH]2)o1.
What is the InChIKey of N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[1-(3-propan-2-yloxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-5-yl)-N-[3-pyridin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]furan-2-carboxamide?
The InChIKey is VSBULSPJYKRSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O2.C23H24N6O3.C20H17F3N6O3/c1-29-8-10-30(11-9-29)12-13-31-16-19(22(28-31)18-4-2-3-7-24-18)27-23(32)21-6-5-20(33-21)17-14-25-26-15-17;1-14(2)31-17-9-16(10-17)29-13-19(22(28-29)18-5-3-4-8-24-18)27-23(30)21-7-6-20(32-21)15-11-25-26-12-15;21-20(22,23)12-31-10-9-29-11-15(18(28-29)14-3-1-2-7-24-14)26-19(30)17-5-4-16(32-17)13-6-8-25-27-13/h2-7,14-16H,8-13H2,1H3,(H,25,26)(H,27,32);3-8,11-14,16-17H,9-10H2,1-2H3,(H,25,26)(H,27,30);1-8,11H,9-10,12H2,(H,25,27)(H,26,30).
What are the key properties of N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[1-(3-propan-2-yloxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-5-yl)-N-[3-pyridin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]furan-2-carboxamide?
N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[1-(3-propan-2-yloxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-5-yl)-N-[3-pyridin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]furan-2-carboxamide has a molecular weight of 1325.39 g/mol, XLogP of 10.50, 22 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;N-[1-(3-propan-2-yloxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(1H-pyrazol-5-yl)-N-[3-pyridin-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 161383923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).