4-[3-[(5-cyclopropyl-2-pyridinyl)oxy]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine

C18H20N6O — CID 138037275

IUPAC4-[3-[(5-cyclopropyl-2-pyridinyl)oxy]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
SMILESc1nc(N2CCCC(Oc3ccc(C4CC4)cn3)C2)c2cn[nH]c2n1
InChIInChI=1S/C18H20N6O/c1-2-14(25-16-6-5-13(8-19-16)12-3-4-12)10-24(7-1)18-15-9-22-23-17(15)20-11-21-18/h5-6,8-9,11-12,14H,1-4,7,10H2,(H,20,21,22,23)
InChIKeyNZEWRFAWIHCDRR-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.67
Rot. Bonds4

About 4-[3-[(5-cyclopropyl-2-pyridinyl)oxy]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine

4-[3-[(5-cyclopropyl-2-pyridinyl)oxy]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 138037275) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-[3-[(5-cyclopropyl-2-pyridinyl)oxy]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[3-[(5-cyclopropyl-2-pyridinyl)oxy]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID138037275
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name4-[3-[(5-cyclopropyl-2-pyridinyl)oxy]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
SMILESc1nc(N2CCCC(Oc3ccc(C4CC4)cn3)C2)c2cn[nH]c2n1
InChIInChI=1S/C18H20N6O/c1-2-14(25-16-6-5-13(8-19-16)12-3-4-12)10-24(7-1)18-15-9-22-23-17(15)20-11-21-18/h5-6,8-9,11-12,14H,1-4,7,10H2,(H,20,21,22,23)
InChIKeyNZEWRFAWIHCDRR-UHFFFAOYSA-N
XLogP2.67
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(5-cyclopropyl-2-pyridinyl)oxy]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[3-[(5-cyclopropyl-2-pyridinyl)oxy]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine (CID 138037275) is 4-[3-[(5-cyclopropyl-2-pyridinyl)oxy]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[3-[(5-cyclopropyl-2-pyridinyl)oxy]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[3-[(5-cyclopropyl-2-pyridinyl)oxy]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine is c1nc(N2CCCC(Oc3ccc(C4CC4)cn3)C2)c2cn[nH]c2n1.
What is the InChIKey of 4-[3-[(5-cyclopropyl-2-pyridinyl)oxy]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is NZEWRFAWIHCDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-2-14(25-16-6-5-13(8-19-16)12-3-4-12)10-24(7-1)18-15-9-22-23-17(15)20-11-21-18/h5-6,8-9,11-12,14H,1-4,7,10H2,(H,20,21,22,23).
What are the key properties of 4-[3-[(5-cyclopropyl-2-pyridinyl)oxy]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
4-[3-[(5-cyclopropyl-2-pyridinyl)oxy]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 336.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(5-cyclopropyl-2-pyridinyl)oxy]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 138037275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).