1-(4-fluoro-6-methoxy-3-pyridinyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine

C16H17FN6O2 — CID 141280007

IUPAC1-(4-fluoro-6-methoxy-3-pyridinyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine
SMILESCOc1cc(F)c(-n2ncc3c(OC4CCNCC4)ncnc32)cn1
InChIInChI=1S/C16H17FN6O2/c1-24-14-6-12(17)13(8-19-14)23-15-11(7-22-23)16(21-9-20-15)25-10-2-4-18-5-3-10/h6-10,18H,2-5H2,1H3
InChIKeyVCDKMHONGNWKHM-UHFFFAOYSA-N
MW344.35 g/mol
LogP1.49
Rot. Bonds4

About 1-(4-fluoro-6-methoxy-3-pyridinyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine

1-(4-fluoro-6-methoxy-3-pyridinyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine (PubChem CID 141280007) has the molecular formula C16H17FN6O2 and a molecular weight of 344.35 g/mol. Its IUPAC name is 1-(4-fluoro-6-methoxy-3-pyridinyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-(4-fluoro-6-methoxy-3-pyridinyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine
PubChem CID141280007
Molecular FormulaC16H17FN6O2
Molecular Weight344.35 g/mol
Exact Mass344.14
IUPAC Name1-(4-fluoro-6-methoxy-3-pyridinyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine
SMILESCOc1cc(F)c(-n2ncc3c(OC4CCNCC4)ncnc32)cn1
InChIInChI=1S/C16H17FN6O2/c1-24-14-6-12(17)13(8-19-14)23-15-11(7-22-23)16(21-9-20-15)25-10-2-4-18-5-3-10/h6-10,18H,2-5H2,1H3
InChIKeyVCDKMHONGNWKHM-UHFFFAOYSA-N
XLogP1.49
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(4-fluoro-6-methoxy-3-pyridinyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine with MolForge

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Related Compounds

3-fluoro-4-(4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidin-1-yl)benzenesulfonamide
CID 141106636
1-(2-fluoro-4-methylsulfonylphenyl)-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine
CID 141106657
1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine
CID 11360802
propan-2-yl 4-[1-(2-fluoro-4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 57496329
1-phenyl-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine
CID 62348088
4-iodo-5-methoxy-6-piperidin-4-yloxypyrimidine
CID 88897202
5-[4-[1-(2-fluoro-4-isocyanophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 58735196
5-methyl-4,6-di(piperidin-4-yloxy)pyrimidine
CID 58484436
4-(5-methoxy-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid
CID 135219408
5-[4-[1-(3,4-difluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 141175540
6-(6-methoxy-3-pyridinyl)-4-[(3S)-pyrrolidin-3-yl]oxyquinazoline
CID 141419886
4-[[3-[1-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypyrrolidin-1-yl]methyl]-3-propan-2-yl-5H-1,2,4-oxadiazole
CID 69007974

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-6-methoxy-3-pyridinyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-(4-fluoro-6-methoxy-3-pyridinyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine (CID 141280007) is 1-(4-fluoro-6-methoxy-3-pyridinyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-(4-fluoro-6-methoxy-3-pyridinyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-(4-fluoro-6-methoxy-3-pyridinyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine is COc1cc(F)c(-n2ncc3c(OC4CCNCC4)ncnc32)cn1.
What is the InChIKey of 1-(4-fluoro-6-methoxy-3-pyridinyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine?
The InChIKey is VCDKMHONGNWKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6O2/c1-24-14-6-12(17)13(8-19-14)23-15-11(7-22-23)16(21-9-20-15)25-10-2-4-18-5-3-10/h6-10,18H,2-5H2,1H3.
What are the key properties of 1-(4-fluoro-6-methoxy-3-pyridinyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine?
1-(4-fluoro-6-methoxy-3-pyridinyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine has a molecular weight of 344.35 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-6-methoxy-3-pyridinyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 141280007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).