4-[6-(cyclopentylmethoxy)pyrazin-2-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine

C19H27N5O2 — CID 127909652

IUPAC4-[6-(cyclopentylmethoxy)pyrazin-2-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
SMILESCn1cc(C2(C)CN(c3cncc(OCC4CCCC4)n3)CCO2)cn1
InChIInChI=1S/C19H27N5O2/c1-19(16-9-21-23(2)12-16)14-24(7-8-26-19)17-10-20-11-18(22-17)25-13-15-5-3-4-6-15/h9-12,15H,3-8,13-14H2,1-2H3
InChIKeyJBNQGAPGBOFENS-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.53
Rot. Bonds5

About 4-[6-(cyclopentylmethoxy)pyrazin-2-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine

4-[6-(cyclopentylmethoxy)pyrazin-2-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine (PubChem CID 127909652) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-[6-(cyclopentylmethoxy)pyrazin-2-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name4-[6-(cyclopentylmethoxy)pyrazin-2-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
PubChem CID127909652
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name4-[6-(cyclopentylmethoxy)pyrazin-2-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
SMILESCn1cc(C2(C)CN(c3cncc(OCC4CCCC4)n3)CCO2)cn1
InChIInChI=1S/C19H27N5O2/c1-19(16-9-21-23(2)12-16)14-24(7-8-26-19)17-10-20-11-18(22-17)25-13-15-5-3-4-6-15/h9-12,15H,3-8,13-14H2,1-2H3
InChIKeyJBNQGAPGBOFENS-UHFFFAOYSA-N
XLogP2.53
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(cyclopentylmethoxy)pyrazin-2-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of 4-[6-(cyclopentylmethoxy)pyrazin-2-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine (CID 127909652) is 4-[6-(cyclopentylmethoxy)pyrazin-2-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for 4-[6-(cyclopentylmethoxy)pyrazin-2-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for 4-[6-(cyclopentylmethoxy)pyrazin-2-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine is Cn1cc(C2(C)CN(c3cncc(OCC4CCCC4)n3)CCO2)cn1.
What is the InChIKey of 4-[6-(cyclopentylmethoxy)pyrazin-2-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is JBNQGAPGBOFENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-19(16-9-21-23(2)12-16)14-24(7-8-26-19)17-10-20-11-18(22-17)25-13-15-5-3-4-6-15/h9-12,15H,3-8,13-14H2,1-2H3.
What are the key properties of 4-[6-(cyclopentylmethoxy)pyrazin-2-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
4-[6-(cyclopentylmethoxy)pyrazin-2-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 357.46 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(cyclopentylmethoxy)pyrazin-2-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 127909652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).