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

C69H72BrN21O6 — CID 158168576

IUPAC6-bromo-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-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;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESCc1cncc(-c2cccc(C(=O)Nc3cn(CCN4CCOCC4)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/C26H27N7O2.C23H24N8O2.C20H21BrN6O2/c1-19-15-20(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;32-23(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;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/h2-8,15-18H,9-14H2,1H3,(H,30,34);1-7,14-16H,8-13H2,(H,25,26)(H,28,32);1-7,14H,8-13H2,(H,24,28)
InChIKeyFXDQSQVDWASYSH-UHFFFAOYSA-N
MW1371.38 g/mol
LogP8.30
Rot. Bonds20

About 6-bromo-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-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;N-[1-(2-morpholin-4-ylethyl)-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-(5-methyl-3-pyridinyl)-N-[1-(2-morpholin-4-ylethyl)-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 (PubChem CID 158168576) has the molecular formula C69H72BrN21O6 and a molecular weight of 1371.38 g/mol. Its IUPAC name is 6-bromo-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-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;N-[1-(2-morpholin-4-ylethyl)-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-(5-methyl-3-pyridinyl)-N-[1-(2-morpholin-4-ylethyl)-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
PubChem CID158168576
Molecular FormulaC69H72BrN21O6
Molecular Weight1371.38 g/mol
Exact Mass1369.52
IUPAC Name6-bromo-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-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;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESCc1cncc(-c2cccc(C(=O)Nc3cn(CCN4CCOCC4)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/C26H27N7O2.C23H24N8O2.C20H21BrN6O2/c1-19-15-20(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;32-23(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;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/h2-8,15-18H,9-14H2,1H3,(H,30,34);1-7,14-16H,8-13H2,(H,25,26)(H,28,32);1-7,14H,8-13H2,(H,24,28)
InChIKeyFXDQSQVDWASYSH-UHFFFAOYSA-N
XLogP8.30
TPSA297.08 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds20
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001371.38
LogP ≤ 58.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

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-(5-methyl-3-pyridinyl)-N-[1-(2-morpholin-4-ylethyl)-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 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-(5-methyl-3-pyridinyl)-N-[1-(2-morpholin-4-ylethyl)-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?
The IUPAC name of 6-bromo-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-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;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (CID 158168576) is 6-bromo-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-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;N-[1-(2-morpholin-4-ylethyl)-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-(5-methyl-3-pyridinyl)-N-[1-(2-morpholin-4-ylethyl)-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?
The canonical SMILES for 6-bromo-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-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;N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide is Cc1cncc(-c2cccc(C(=O)Nc3cn(CCN4CCOCC4)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-(5-methyl-3-pyridinyl)-N-[1-(2-morpholin-4-ylethyl)-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?
The InChIKey is FXDQSQVDWASYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O2.C23H24N8O2.C20H21BrN6O2/c1-19-15-20(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;32-23(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;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/h2-8,15-18H,9-14H2,1H3,(H,30,34);1-7,14-16H,8-13H2,(H,25,26)(H,28,32);1-7,14H,8-13H2,(H,24,28).
What are the key properties of 6-bromo-N-[1-(2-morpholin-4-ylethyl)-3-pyridin-2-ylpyrazol-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;N-[1-(2-morpholin-4-ylethyl)-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-(5-methyl-3-pyridinyl)-N-[1-(2-morpholin-4-ylethyl)-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 has a molecular weight of 1371.38 g/mol, XLogP of 8.30, 20 rotatable bonds, 4 hydrogen bond donors, and 23 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-(5-methyl-3-pyridinyl)-N-[1-(2-morpholin-4-ylethyl)-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 is sourced from PubChem (CID 158168576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).