6-[6-(4-aminopiperidin-1-yl)-2-methoxy-3-pyridinyl]-1-cyclohexyl-3-methylpyrazolo[4,5-d]pyrimidin-7-one

C23H31N7O2 — CID 67171317

IUPAC6-[6-(4-aminopiperidin-1-yl)-2-methoxy-3-pyridinyl]-1-cyclohexyl-3-methylpyrazolo[4,5-d]pyrimidin-7-one
SMILESCOc1nc(N2CCC(N)CC2)ccc1-n1cnc2c(C)nn(C3CCCCC3)c2c1=O
InChIInChI=1S/C23H31N7O2/c1-15-20-21(30(27-15)17-6-4-3-5-7-17)23(31)29(14-25-20)18-8-9-19(26-22(18)32-2)28-12-10-16(24)11-13-28/h8-9,14,16-17H,3-7,10-13,24H2,1-2H3
InChIKeyYJXGUFYLJUKBSI-UHFFFAOYSA-N
MW437.55 g/mol
LogP2.73
Rot. Bonds4

About 6-[6-(4-aminopiperidin-1-yl)-2-methoxy-3-pyridinyl]-1-cyclohexyl-3-methylpyrazolo[4,5-d]pyrimidin-7-one

6-[6-(4-aminopiperidin-1-yl)-2-methoxy-3-pyridinyl]-1-cyclohexyl-3-methylpyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 67171317) has the molecular formula C23H31N7O2 and a molecular weight of 437.55 g/mol. Its IUPAC name is 6-[6-(4-aminopiperidin-1-yl)-2-methoxy-3-pyridinyl]-1-cyclohexyl-3-methylpyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[6-(4-aminopiperidin-1-yl)-2-methoxy-3-pyridinyl]-1-cyclohexyl-3-methylpyrazolo[4,5-d]pyrimidin-7-one
PubChem CID67171317
Molecular FormulaC23H31N7O2
Molecular Weight437.55 g/mol
Exact Mass437.25
IUPAC Name6-[6-(4-aminopiperidin-1-yl)-2-methoxy-3-pyridinyl]-1-cyclohexyl-3-methylpyrazolo[4,5-d]pyrimidin-7-one
SMILESCOc1nc(N2CCC(N)CC2)ccc1-n1cnc2c(C)nn(C3CCCCC3)c2c1=O
InChIInChI=1S/C23H31N7O2/c1-15-20-21(30(27-15)17-6-4-3-5-7-17)23(31)29(14-25-20)18-8-9-19(26-22(18)32-2)28-12-10-16(24)11-13-28/h8-9,14,16-17H,3-7,10-13,24H2,1-2H3
InChIKeyYJXGUFYLJUKBSI-UHFFFAOYSA-N
XLogP2.73
TPSA104.09 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(4-aminopiperidin-1-yl)-2-methoxy-3-pyridinyl]-1-cyclohexyl-3-methylpyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 6-[6-(4-aminopiperidin-1-yl)-2-methoxy-3-pyridinyl]-1-cyclohexyl-3-methylpyrazolo[4,5-d]pyrimidin-7-one (CID 67171317) is 6-[6-(4-aminopiperidin-1-yl)-2-methoxy-3-pyridinyl]-1-cyclohexyl-3-methylpyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 6-[6-(4-aminopiperidin-1-yl)-2-methoxy-3-pyridinyl]-1-cyclohexyl-3-methylpyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 6-[6-(4-aminopiperidin-1-yl)-2-methoxy-3-pyridinyl]-1-cyclohexyl-3-methylpyrazolo[4,5-d]pyrimidin-7-one is COc1nc(N2CCC(N)CC2)ccc1-n1cnc2c(C)nn(C3CCCCC3)c2c1=O.
What is the InChIKey of 6-[6-(4-aminopiperidin-1-yl)-2-methoxy-3-pyridinyl]-1-cyclohexyl-3-methylpyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is YJXGUFYLJUKBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O2/c1-15-20-21(30(27-15)17-6-4-3-5-7-17)23(31)29(14-25-20)18-8-9-19(26-22(18)32-2)28-12-10-16(24)11-13-28/h8-9,14,16-17H,3-7,10-13,24H2,1-2H3.
What are the key properties of 6-[6-(4-aminopiperidin-1-yl)-2-methoxy-3-pyridinyl]-1-cyclohexyl-3-methylpyrazolo[4,5-d]pyrimidin-7-one?
6-[6-(4-aminopiperidin-1-yl)-2-methoxy-3-pyridinyl]-1-cyclohexyl-3-methylpyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 437.55 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(4-aminopiperidin-1-yl)-2-methoxy-3-pyridinyl]-1-cyclohexyl-3-methylpyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 67171317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).