4-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine

C14H13BrN6O — CID 166246123

IUPAC4-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
SMILESBrc1cncc(OC2CCN(c3ncnc4[nH]ncc34)C2)c1
InChIInChI=1S/C14H13BrN6O/c15-9-3-11(5-16-4-9)22-10-1-2-21(7-10)14-12-6-19-20-13(12)17-8-18-14/h3-6,8,10H,1-2,7H2,(H,17,18,19,20)
InChIKeyVKGRYMFDNVLFPO-UHFFFAOYSA-N
MW361.20 g/mol
LogP2.17
Rot. Bonds3

About 4-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine

4-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 166246123) has the molecular formula C14H13BrN6O and a molecular weight of 361.20 g/mol. Its IUPAC name is 4-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID166246123
Molecular FormulaC14H13BrN6O
Molecular Weight361.20 g/mol
Exact Mass360.03
IUPAC Name4-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
SMILESBrc1cncc(OC2CCN(c3ncnc4[nH]ncc34)C2)c1
InChIInChI=1S/C14H13BrN6O/c15-9-3-11(5-16-4-9)22-10-1-2-21(7-10)14-12-6-19-20-13(12)17-8-18-14/h3-6,8,10H,1-2,7H2,(H,17,18,19,20)
InChIKeyVKGRYMFDNVLFPO-UHFFFAOYSA-N
XLogP2.17
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine with MolForge

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Related Compounds

4-[3-[(5-cyclopropyl-2-pyridinyl)oxy]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 138037275
3-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 178107069
4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 138511220
4-[3-(3-phenylpropoxy)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 71975881
4-[(3R)-3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylpyrimidine
CID 125423872
4-[4-(2-iodophenoxy)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 133337363
(3R,4R)-3-(hydroxymethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-ol
CID 134711259
4-(azetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 131087765
1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 84818655
4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 71862723
4-(3-methylsulfanylazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 133395111
2-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 166258912

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine (CID 166246123) is 4-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine is Brc1cncc(OC2CCN(c3ncnc4[nH]ncc34)C2)c1.
What is the InChIKey of 4-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is VKGRYMFDNVLFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN6O/c15-9-3-11(5-16-4-9)22-10-1-2-21(7-10)14-12-6-19-20-13(12)17-8-18-14/h3-6,8,10H,1-2,7H2,(H,17,18,19,20).
What are the key properties of 4-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
4-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 361.20 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 166246123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).