4-[2-[1-(2-methylpyrazolo[3,4-c]pyridin-7-yl)piperidin-4-yl]ethyl]morpholine

C18H27N5O — CID 166387413

IUPAC4-[2-[1-(2-methylpyrazolo[3,4-c]pyridin-7-yl)piperidin-4-yl]ethyl]morpholine
SMILESCn1cc2ccnc(N3CCC(CCN4CCOCC4)CC3)c2n1
InChIInChI=1S/C18H27N5O/c1-21-14-16-2-6-19-18(17(16)20-21)23-8-4-15(5-9-23)3-7-22-10-12-24-13-11-22/h2,6,14-15H,3-5,7-13H2,1H3
InChIKeyGZXLSQMOXBAQEN-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.91
Rot. Bonds4

About 4-[2-[1-(2-methylpyrazolo[3,4-c]pyridin-7-yl)piperidin-4-yl]ethyl]morpholine

4-[2-[1-(2-methylpyrazolo[3,4-c]pyridin-7-yl)piperidin-4-yl]ethyl]morpholine (PubChem CID 166387413) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 4-[2-[1-(2-methylpyrazolo[3,4-c]pyridin-7-yl)piperidin-4-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[1-(2-methylpyrazolo[3,4-c]pyridin-7-yl)piperidin-4-yl]ethyl]morpholine
PubChem CID166387413
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name4-[2-[1-(2-methylpyrazolo[3,4-c]pyridin-7-yl)piperidin-4-yl]ethyl]morpholine
SMILESCn1cc2ccnc(N3CCC(CCN4CCOCC4)CC3)c2n1
InChIInChI=1S/C18H27N5O/c1-21-14-16-2-6-19-18(17(16)20-21)23-8-4-15(5-9-23)3-7-22-10-12-24-13-11-22/h2,6,14-15H,3-5,7-13H2,1H3
InChIKeyGZXLSQMOXBAQEN-UHFFFAOYSA-N
XLogP1.91
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(2-methylpyrazolo[3,4-c]pyridin-7-yl)piperidin-4-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[1-(2-methylpyrazolo[3,4-c]pyridin-7-yl)piperidin-4-yl]ethyl]morpholine (CID 166387413) is 4-[2-[1-(2-methylpyrazolo[3,4-c]pyridin-7-yl)piperidin-4-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[1-(2-methylpyrazolo[3,4-c]pyridin-7-yl)piperidin-4-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[1-(2-methylpyrazolo[3,4-c]pyridin-7-yl)piperidin-4-yl]ethyl]morpholine is Cn1cc2ccnc(N3CCC(CCN4CCOCC4)CC3)c2n1.
What is the InChIKey of 4-[2-[1-(2-methylpyrazolo[3,4-c]pyridin-7-yl)piperidin-4-yl]ethyl]morpholine?
The InChIKey is GZXLSQMOXBAQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-21-14-16-2-6-19-18(17(16)20-21)23-8-4-15(5-9-23)3-7-22-10-12-24-13-11-22/h2,6,14-15H,3-5,7-13H2,1H3.
What are the key properties of 4-[2-[1-(2-methylpyrazolo[3,4-c]pyridin-7-yl)piperidin-4-yl]ethyl]morpholine?
4-[2-[1-(2-methylpyrazolo[3,4-c]pyridin-7-yl)piperidin-4-yl]ethyl]morpholine has a molecular weight of 329.45 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(2-methylpyrazolo[3,4-c]pyridin-7-yl)piperidin-4-yl]ethyl]morpholine is sourced from PubChem (CID 166387413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).