[1-(1-ethylimidazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone

C18H21N5O — CID 156811113

IUPAC[1-(1-ethylimidazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
SMILESCCn1cnc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)c1
InChIInChI=1S/C18H21N5O/c1-2-21-12-16(20-13-21)23-9-6-14-10-15(11-19-17(14)23)18(24)22-7-4-3-5-8-22/h6,9-13H,2-5,7-8H2,1H3
InChIKeyMRKXMHPKRUTGHM-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.87
Rot. Bonds3

About [1-(1-ethylimidazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone

[1-(1-ethylimidazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone (PubChem CID 156811113) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is [1-(1-ethylimidazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(1-ethylimidazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
PubChem CID156811113
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name[1-(1-ethylimidazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
SMILESCCn1cnc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)c1
InChIInChI=1S/C18H21N5O/c1-2-21-12-16(20-13-21)23-9-6-14-10-15(11-19-17(14)23)18(24)22-7-4-3-5-8-22/h6,9-13H,2-5,7-8H2,1H3
InChIKeyMRKXMHPKRUTGHM-UHFFFAOYSA-N
XLogP2.87
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(1-ethylimidazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(1-ethylimidazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone (CID 156811113) is [1-(1-ethylimidazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(1-ethylimidazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(1-ethylimidazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone is CCn1cnc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)c1.
What is the InChIKey of [1-(1-ethylimidazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?
The InChIKey is MRKXMHPKRUTGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-2-21-12-16(20-13-21)23-9-6-14-10-15(11-19-17(14)23)18(24)22-7-4-3-5-8-22/h6,9-13H,2-5,7-8H2,1H3.
What are the key properties of [1-(1-ethylimidazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?
[1-(1-ethylimidazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone has a molecular weight of 323.40 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-ethylimidazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 156811113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).