1-(4-methoxypiperidin-1-yl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethanone

C19H23N5O2 — CID 134807534

IUPAC1-(4-methoxypiperidin-1-yl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethanone
SMILESCOC1CCN(C(=O)Cc2c[nH]c3ncc(-c4cnn(C)c4)cc23)CC1
InChIInChI=1S/C19H23N5O2/c1-23-12-15(11-22-23)13-7-17-14(10-21-19(17)20-9-13)8-18(25)24-5-3-16(26-2)4-6-24/h7,9-12,16H,3-6,8H2,1-2H3,(H,20,21)
InChIKeyHSOKNJJEPQTMPW-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.14
Rot. Bonds4

About 1-(4-methoxypiperidin-1-yl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethanone

1-(4-methoxypiperidin-1-yl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethanone (PubChem CID 134807534) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-(4-methoxypiperidin-1-yl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-(4-methoxypiperidin-1-yl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethanone
PubChem CID134807534
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name1-(4-methoxypiperidin-1-yl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethanone
SMILESCOC1CCN(C(=O)Cc2c[nH]c3ncc(-c4cnn(C)c4)cc23)CC1
InChIInChI=1S/C19H23N5O2/c1-23-12-15(11-22-23)13-7-17-14(10-21-19(17)20-9-13)8-18(25)24-5-3-16(26-2)4-6-24/h7,9-12,16H,3-6,8H2,1-2H3,(H,20,21)
InChIKeyHSOKNJJEPQTMPW-UHFFFAOYSA-N
XLogP2.14
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypiperidin-1-yl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethanone?
The IUPAC name of 1-(4-methoxypiperidin-1-yl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethanone (CID 134807534) is 1-(4-methoxypiperidin-1-yl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethanone.
What is the SMILES notation for 1-(4-methoxypiperidin-1-yl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethanone?
The canonical SMILES for 1-(4-methoxypiperidin-1-yl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethanone is COC1CCN(C(=O)Cc2c[nH]c3ncc(-c4cnn(C)c4)cc23)CC1.
What is the InChIKey of 1-(4-methoxypiperidin-1-yl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethanone?
The InChIKey is HSOKNJJEPQTMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-23-12-15(11-22-23)13-7-17-14(10-21-19(17)20-9-13)8-18(25)24-5-3-16(26-2)4-6-24/h7,9-12,16H,3-6,8H2,1-2H3,(H,20,21).
What are the key properties of 1-(4-methoxypiperidin-1-yl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethanone?
1-(4-methoxypiperidin-1-yl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethanone has a molecular weight of 353.43 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypiperidin-1-yl)-2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethanone is sourced from PubChem (CID 134807534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).