N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide

C15H19BrN6O2 — CID 171994017

IUPACN-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
SMILESCOc1nc(N2CCCC(NC(=O)c3ccn(C)n3)C2)ncc1Br
InChIInChI=1S/C15H19BrN6O2/c1-21-7-5-12(20-21)13(23)18-10-4-3-6-22(9-10)15-17-8-11(16)14(19-15)24-2/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,18,23)
InChIKeyONPFWVSPJOLBBL-UHFFFAOYSA-N
MW395.26 g/mol
LogP1.38
Rot. Bonds4

About N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide

N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 171994017) has the molecular formula C15H19BrN6O2 and a molecular weight of 395.26 g/mol. Its IUPAC name is N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
PubChem CID171994017
Molecular FormulaC15H19BrN6O2
Molecular Weight395.26 g/mol
Exact Mass394.08
IUPAC NameN-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
SMILESCOc1nc(N2CCCC(NC(=O)c3ccn(C)n3)C2)ncc1Br
InChIInChI=1S/C15H19BrN6O2/c1-21-7-5-12(20-21)13(23)18-10-4-3-6-22(9-10)15-17-8-11(16)14(19-15)24-2/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,18,23)
InChIKeyONPFWVSPJOLBBL-UHFFFAOYSA-N
XLogP1.38
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide (CID 171994017) is N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide is COc1nc(N2CCCC(NC(=O)c3ccn(C)n3)C2)ncc1Br.
What is the InChIKey of N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is ONPFWVSPJOLBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN6O2/c1-21-7-5-12(20-21)13(23)18-10-4-3-6-22(9-10)15-17-8-11(16)14(19-15)24-2/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,18,23).
What are the key properties of N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide?
N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 395.26 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 171994017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).