6-bromo-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide

C98H108BrN31O5 — CID 159726110

IUPAC6-bromo-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide
SMILESCN1CCN(CCn2cc(NC(=O)c3cccc(-c4cn[nH]c4)n3)c(-c3ccccn3)n2)CC1.CN1CCN(CCn2cc(NC(=O)c3cccc(Br)n3)c(-c3ccccn3)n2)CC1.Cc1cncc(-c2cccc(C(=O)Nc3cn(CCN4CCN(C)CC4)nc3-c3ccccn3)n2)c1.Cc1cncc(-c2cccc(C(=O)Nc3cn(CCN4CCOCC4)nc3-c3ccccn3)n2)c1
InChIInChI=1S/C27H30N8O.C26H27N7O2.C24H27N9O.C21H24BrN7O/c1-20-16-21(18-28-17-20)22-7-5-8-24(30-22)27(36)31-25-19-35(15-14-34-12-10-33(2)11-13-34)32-26(25)23-6-3-4-9-29-23;1-19-15-20(17-27-16-19)21-6-4-7-23(29-21)26(34)30-24-18-33(10-9-32-11-13-35-14-12-32)31-25(24)22-5-2-3-8-28-22;1-31-9-11-32(12-10-31)13-14-33-17-22(23(30-33)20-5-2-3-8-25-20)29-24(34)21-7-4-6-19(28-21)18-15-26-27-16-18;1-27-9-11-28(12-10-27)13-14-29-15-18(20(26-29)16-5-2-3-8-23-16)25-21(30)17-6-4-7-19(22)24-17/h3-9,16-19H,10-15H2,1-2H3,(H,31,36);2-8,15-18H,9-14H2,1H3,(H,30,34);2-8,15-17H,9-14H2,1H3,(H,26,27)(H,29,34);2-8,15H,9-14H2,1H3,(H,25,30)
InChIKeyNAQRIBDMANIGJN-UHFFFAOYSA-N
MW1880.06 g/mol
LogP11.34
Rot. Bonds27

About 6-bromo-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide

6-bromo-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 159726110) has the molecular formula C98H108BrN31O5 and a molecular weight of 1880.06 g/mol. Its IUPAC name is 6-bromo-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide
PubChem CID159726110
Molecular FormulaC98H108BrN31O5
Molecular Weight1880.06 g/mol
Exact Mass1877.83
IUPAC Name6-bromo-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide
SMILESCN1CCN(CCn2cc(NC(=O)c3cccc(-c4cn[nH]c4)n3)c(-c3ccccn3)n2)CC1.CN1CCN(CCn2cc(NC(=O)c3cccc(Br)n3)c(-c3ccccn3)n2)CC1.Cc1cncc(-c2cccc(C(=O)Nc3cn(CCN4CCN(C)CC4)nc3-c3ccccn3)n2)c1.Cc1cncc(-c2cccc(C(=O)Nc3cn(CCN4CCOCC4)nc3-c3ccccn3)n2)c1
InChIInChI=1S/C27H30N8O.C26H27N7O2.C24H27N9O.C21H24BrN7O/c1-20-16-21(18-28-17-20)22-7-5-8-24(30-22)27(36)31-25-19-35(15-14-34-12-10-33(2)11-13-34)32-26(25)23-6-3-4-9-29-23;1-19-15-20(17-27-16-19)21-6-4-7-23(29-21)26(34)30-24-18-33(10-9-32-11-13-35-14-12-32)31-25(24)22-5-2-3-8-28-22;1-31-9-11-32(12-10-31)13-14-33-17-22(23(30-33)20-5-2-3-8-25-20)29-24(34)21-7-4-6-19(28-21)18-15-26-27-16-18;1-27-9-11-28(12-10-27)13-14-29-15-18(20(26-29)16-5-2-3-8-23-16)25-21(30)17-6-4-7-19(22)24-17/h3-9,16-19H,10-15H2,1-2H3,(H,31,36);2-8,15-18H,9-14H2,1H3,(H,30,34);2-8,15-17H,9-14H2,1H3,(H,26,27)(H,29,34);2-8,15H,9-14H2,1H3,(H,25,30)
InChIKeyNAQRIBDMANIGJN-UHFFFAOYSA-N
XLogP11.34
TPSA377.17 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds27
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001880.06
LogP ≤ 511.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-bromo-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide (CID 159726110) is 6-bromo-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide is CN1CCN(CCn2cc(NC(=O)c3cccc(-c4cn[nH]c4)n3)c(-c3ccccn3)n2)CC1.CN1CCN(CCn2cc(NC(=O)c3cccc(Br)n3)c(-c3ccccn3)n2)CC1.Cc1cncc(-c2cccc(C(=O)Nc3cn(CCN4CCN(C)CC4)nc3-c3ccccn3)n2)c1.Cc1cncc(-c2cccc(C(=O)Nc3cn(CCN4CCOCC4)nc3-c3ccccn3)n2)c1.
What is the InChIKey of 6-bromo-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is NAQRIBDMANIGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O.C26H27N7O2.C24H27N9O.C21H24BrN7O/c1-20-16-21(18-28-17-20)22-7-5-8-24(30-22)27(36)31-25-19-35(15-14-34-12-10-33(2)11-13-34)32-26(25)23-6-3-4-9-29-23;1-19-15-20(17-27-16-19)21-6-4-7-23(29-21)26(34)30-24-18-33(10-9-32-11-13-35-14-12-32)31-25(24)22-5-2-3-8-28-22;1-31-9-11-32(12-10-31)13-14-33-17-22(23(30-33)20-5-2-3-8-25-20)29-24(34)21-7-4-6-19(28-21)18-15-26-27-16-18;1-27-9-11-28(12-10-27)13-14-29-15-18(20(26-29)16-5-2-3-8-23-16)25-21(30)17-6-4-7-19(22)24-17/h3-9,16-19H,10-15H2,1-2H3,(H,31,36);2-8,15-18H,9-14H2,1H3,(H,30,34);2-8,15-17H,9-14H2,1H3,(H,26,27)(H,29,34);2-8,15H,9-14H2,1H3,(H,25,30).
What are the key properties of 6-bromo-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide?
6-bromo-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 1880.06 g/mol, XLogP of 11.34, 27 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 159726110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).