4-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide

C17H18BrN7O2 — CID 133444242

IUPAC4-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide
SMILESCn1nc(Br)c2c(N3CCC(Oc4ccnc(C(N)=O)c4)CC3)ncnc21
InChIInChI=1S/C17H18BrN7O2/c1-24-16-13(14(18)23-24)17(22-9-21-16)25-6-3-10(4-7-25)27-11-2-5-20-12(8-11)15(19)26/h2,5,8-10H,3-4,6-7H2,1H3,(H2,19,26)
InChIKeyGMYLBWKYIZJWJM-UHFFFAOYSA-N
MW432.28 g/mol
LogP1.67
Rot. Bonds4

About 4-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide

4-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide (PubChem CID 133444242) has the molecular formula C17H18BrN7O2 and a molecular weight of 432.28 g/mol. Its IUPAC name is 4-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound Name4-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide
PubChem CID133444242
Molecular FormulaC17H18BrN7O2
Molecular Weight432.28 g/mol
Exact Mass431.07
IUPAC Name4-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide
SMILESCn1nc(Br)c2c(N3CCC(Oc4ccnc(C(N)=O)c4)CC3)ncnc21
InChIInChI=1S/C17H18BrN7O2/c1-24-16-13(14(18)23-24)17(22-9-21-16)25-6-3-10(4-7-25)27-11-2-5-20-12(8-11)15(19)26/h2,5,8-10H,3-4,6-7H2,1H3,(H2,19,26)
InChIKeyGMYLBWKYIZJWJM-UHFFFAOYSA-N
XLogP1.67
TPSA112.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[1-(5-methylquinazolin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 133444187
4-[1-(6-bromoquinazolin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 133444254
4-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide
CID 133444237
4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 75509918
4-[1-(4-nitrophenyl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 133444215
4-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 133462336
4-[(3S)-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidin-3-yl]oxypyridine-2-carboxamide
CID 129354873
4-[1-(2,6-difluoro-4-nitrophenyl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 133444274
3-bromo-4-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 133480597
4-[1-(5-fluoropyrimidin-4-yl)azetidin-3-yl]oxypyridine-2-carboxamide
CID 154580782
4-[1-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-4-yl]oxypyridine-2-carboxamide
CID 154802146
4-[1-(6-fluoroquinazolin-4-yl)azetidin-3-yl]oxypyridine-2-carboxamide
CID 146079958

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide?
The IUPAC name of 4-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide (CID 133444242) is 4-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for 4-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide?
The canonical SMILES for 4-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide is Cn1nc(Br)c2c(N3CCC(Oc4ccnc(C(N)=O)c4)CC3)ncnc21.
What is the InChIKey of 4-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide?
The InChIKey is GMYLBWKYIZJWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN7O2/c1-24-16-13(14(18)23-24)17(22-9-21-16)25-6-3-10(4-7-25)27-11-2-5-20-12(8-11)15(19)26/h2,5,8-10H,3-4,6-7H2,1H3,(H2,19,26).
What are the key properties of 4-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide?
4-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide has a molecular weight of 432.28 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 133444242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).