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

C103H102Br2N32O7 — CID 157221408

IUPAC6-bromo-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-bromo-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESCC(C)n1cc(NC(=O)c2cccc(-c3cn[nH]c3)n2)c(-c2ccccn2)n1.CC(C)n1cc(NC(=O)c2cccc(Br)n2)c(-c2ccccn2)n1.Cc1cncc(-c2cccc(C(=O)Nc3cn(C(C)C)nc3-c3ccccn3)n2)c1.O=C(Nc1cn(CCN2CCOCC2)nc1-c1ccccn1)c1cccc(-c2cn[nH]c2)n1.O=C(Nc1cn(CCN2CCOCC2)nc1-c1ccccn1)c1cccc(Br)n1
InChIInChI=1S/C23H24N8O2.C23H22N6O.C20H21BrN6O2.C20H19N7O.C17H16BrN5O/c32-23(20-6-3-5-18(27-20)17-14-25-26-15-17)28-21-16-31(9-8-30-10-12-33-13-11-30)29-22(21)19-4-1-2-7-24-19;1-15(2)29-14-21(22(28-29)19-7-4-5-10-25-19)27-23(30)20-9-6-8-18(26-20)17-11-16(3)12-24-13-17;21-18-6-3-5-16(23-18)20(28)24-17-14-27(9-8-26-10-12-29-13-11-26)25-19(17)15-4-1-2-7-22-15;1-13(2)27-12-18(19(26-27)16-6-3-4-9-21-16)25-20(28)17-8-5-7-15(24-17)14-10-22-23-11-14;1-11(2)23-10-14(16(22-23)12-6-3-4-9-19-12)21-17(24)13-7-5-8-15(18)20-13/h1-7,14-16H,8-13H2,(H,25,26)(H,28,32);4-15H,1-3H3,(H,27,30);1-7,14H,8-13H2,(H,24,28);3-13H,1-2H3,(H,22,23)(H,25,28);3-11H,1-2H3,(H,21,24)
InChIKeyATAOTIUMMKEZRV-UHFFFAOYSA-N
MW2059.97 g/mol
LogP17.04
Rot. Bonds27

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

6-bromo-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-bromo-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 157221408) has the molecular formula C103H102Br2N32O7 and a molecular weight of 2059.97 g/mol. Its IUPAC name is 6-bromo-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-bromo-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-bromo-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
PubChem CID157221408
Molecular FormulaC103H102Br2N32O7
Molecular Weight2059.97 g/mol
Exact Mass2056.70
IUPAC Name6-bromo-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-bromo-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESCC(C)n1cc(NC(=O)c2cccc(-c3cn[nH]c3)n2)c(-c2ccccn2)n1.CC(C)n1cc(NC(=O)c2cccc(Br)n2)c(-c2ccccn2)n1.Cc1cncc(-c2cccc(C(=O)Nc3cn(C(C)C)nc3-c3ccccn3)n2)c1.O=C(Nc1cn(CCN2CCOCC2)nc1-c1ccccn1)c1cccc(-c2cn[nH]c2)n1.O=C(Nc1cn(CCN2CCOCC2)nc1-c1ccccn1)c1cccc(Br)n1
InChIInChI=1S/C23H24N8O2.C23H22N6O.C20H21BrN6O2.C20H19N7O.C17H16BrN5O/c32-23(20-6-3-5-18(27-20)17-14-25-26-15-17)28-21-16-31(9-8-30-10-12-33-13-11-30)29-22(21)19-4-1-2-7-24-19;1-15(2)29-14-21(22(28-29)19-7-4-5-10-25-19)27-23(30)20-9-6-8-18(26-20)17-11-16(3)12-24-13-17;21-18-6-3-5-16(23-18)20(28)24-17-14-27(9-8-26-10-12-29-13-11-26)25-19(17)15-4-1-2-7-22-15;1-13(2)27-12-18(19(26-27)16-6-3-4-9-21-16)25-20(28)17-8-5-7-15(24-17)14-10-22-23-11-14;1-11(2)23-10-14(16(22-23)12-6-3-4-9-19-12)21-17(24)13-7-5-8-15(18)20-13/h1-7,14-16H,8-13H2,(H,25,26)(H,28,32);4-15H,1-3H3,(H,27,30);1-7,14H,8-13H2,(H,24,28);3-13H,1-2H3,(H,22,23)(H,25,28);3-11H,1-2H3,(H,21,24)
InChIKeyATAOTIUMMKEZRV-UHFFFAOYSA-N
XLogP17.04
TPSA458.69 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds27
Heavy Atoms144
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002059.97
LogP ≤ 517.04
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 6-bromo-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-bromo-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-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-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-bromo-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-bromo-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (CID 157221408) is 6-bromo-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-bromo-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-bromo-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-bromo-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide is CC(C)n1cc(NC(=O)c2cccc(-c3cn[nH]c3)n2)c(-c2ccccn2)n1.CC(C)n1cc(NC(=O)c2cccc(Br)n2)c(-c2ccccn2)n1.Cc1cncc(-c2cccc(C(=O)Nc3cn(C(C)C)nc3-c3ccccn3)n2)c1.O=C(Nc1cn(CCN2CCOCC2)nc1-c1ccccn1)c1cccc(-c2cn[nH]c2)n1.O=C(Nc1cn(CCN2CCOCC2)nc1-c1ccccn1)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-bromo-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is ATAOTIUMMKEZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O2.C23H22N6O.C20H21BrN6O2.C20H19N7O.C17H16BrN5O/c32-23(20-6-3-5-18(27-20)17-14-25-26-15-17)28-21-16-31(9-8-30-10-12-33-13-11-30)29-22(21)19-4-1-2-7-24-19;1-15(2)29-14-21(22(28-29)19-7-4-5-10-25-19)27-23(30)20-9-6-8-18(26-20)17-11-16(3)12-24-13-17;21-18-6-3-5-16(23-18)20(28)24-17-14-27(9-8-26-10-12-29-13-11-26)25-19(17)15-4-1-2-7-22-15;1-13(2)27-12-18(19(26-27)16-6-3-4-9-21-16)25-20(28)17-8-5-7-15(24-17)14-10-22-23-11-14;1-11(2)23-10-14(16(22-23)12-6-3-4-9-19-12)21-17(24)13-7-5-8-15(18)20-13/h1-7,14-16H,8-13H2,(H,25,26)(H,28,32);4-15H,1-3H3,(H,27,30);1-7,14H,8-13H2,(H,24,28);3-13H,1-2H3,(H,22,23)(H,25,28);3-11H,1-2H3,(H,21,24).
What are the key properties of 6-bromo-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-bromo-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
6-bromo-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-bromo-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 2059.97 g/mol, XLogP of 17.04, 27 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;6-bromo-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 157221408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).