5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine

C18H21N5O — CID 171704384

IUPAC5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cccc(OCC2CCN(c3ccn4nccc4n3)CC2)n1
InChIInChI=1S/C18H21N5O/c1-14-3-2-4-18(20-14)24-13-15-6-10-22(11-7-15)16-8-12-23-17(21-16)5-9-19-23/h2-5,8-9,12,15H,6-7,10-11,13H2,1H3
InChIKeyMPAAHLQVEMQLAN-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.73
Rot. Bonds4

About 5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine

5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 171704384) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID171704384
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCc1cccc(OCC2CCN(c3ccn4nccc4n3)CC2)n1
InChIInChI=1S/C18H21N5O/c1-14-3-2-4-18(20-14)24-13-15-6-10-22(11-7-15)16-8-12-23-17(21-16)5-9-19-23/h2-5,8-9,12,15H,6-7,10-11,13H2,1H3
InChIKeyMPAAHLQVEMQLAN-UHFFFAOYSA-N
XLogP2.73
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine (CID 171704384) is 5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine is Cc1cccc(OCC2CCN(c3ccn4nccc4n3)CC2)n1.
What is the InChIKey of 5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is MPAAHLQVEMQLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-14-3-2-4-18(20-14)24-13-15-6-10-22(11-7-15)16-8-12-23-17(21-16)5-9-19-23/h2-5,8-9,12,15H,6-7,10-11,13H2,1H3.
What are the key properties of 5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine?
5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 323.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 171704384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).