[4-(methoxymethyl)phenyl]-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)piperidin-1-yl]methanone

C20H22N4O2 — CID 92611468

IUPAC[4-(methoxymethyl)phenyl]-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)piperidin-1-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCC(c3cc4nccnc4[nH]3)CC2)cc1
InChIInChI=1S/C20H22N4O2/c1-26-13-14-2-4-16(5-3-14)20(25)24-10-6-15(7-11-24)17-12-18-19(23-17)22-9-8-21-18/h2-5,8-9,12,15H,6-7,10-11,13H2,1H3,(H,22,23)
InChIKeyFPWXBTFDAHTREA-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.12
Rot. Bonds4

About [4-(methoxymethyl)phenyl]-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)piperidin-1-yl]methanone

[4-(methoxymethyl)phenyl]-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)piperidin-1-yl]methanone (PubChem CID 92611468) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is [4-(methoxymethyl)phenyl]-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(methoxymethyl)phenyl]-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)piperidin-1-yl]methanone
PubChem CID92611468
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name[4-(methoxymethyl)phenyl]-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)piperidin-1-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCC(c3cc4nccnc4[nH]3)CC2)cc1
InChIInChI=1S/C20H22N4O2/c1-26-13-14-2-4-16(5-3-14)20(25)24-10-6-15(7-11-24)17-12-18-19(23-17)22-9-8-21-18/h2-5,8-9,12,15H,6-7,10-11,13H2,1H3,(H,22,23)
InChIKeyFPWXBTFDAHTREA-UHFFFAOYSA-N
XLogP3.12
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)phenyl]-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)piperidin-1-yl]methanone?
The IUPAC name of [4-(methoxymethyl)phenyl]-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)piperidin-1-yl]methanone (CID 92611468) is [4-(methoxymethyl)phenyl]-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(methoxymethyl)phenyl]-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(methoxymethyl)phenyl]-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)piperidin-1-yl]methanone is COCc1ccc(C(=O)N2CCC(c3cc4nccnc4[nH]3)CC2)cc1.
What is the InChIKey of [4-(methoxymethyl)phenyl]-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)piperidin-1-yl]methanone?
The InChIKey is FPWXBTFDAHTREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-26-13-14-2-4-16(5-3-14)20(25)24-10-6-15(7-11-24)17-12-18-19(23-17)22-9-8-21-18/h2-5,8-9,12,15H,6-7,10-11,13H2,1H3,(H,22,23).
What are the key properties of [4-(methoxymethyl)phenyl]-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)piperidin-1-yl]methanone?
[4-(methoxymethyl)phenyl]-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)piperidin-1-yl]methanone has a molecular weight of 350.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)phenyl]-[4-(5H-pyrrolo[2,3-b]pyrazin-6-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 92611468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).