(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone

C21H28N4O3 — CID 72882144

IUPAC(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCOCCn1ccnc1C1CCN(C(=O)c2cc3c(nc2OC)CCC3)CC1
InChIInChI=1S/C21H28N4O3/c1-27-13-12-24-11-8-22-19(24)15-6-9-25(10-7-15)21(26)17-14-16-4-3-5-18(16)23-20(17)28-2/h8,11,14-15H,3-7,9-10,12-13H2,1-2H3
InChIKeyLIECWFDEIMMXBU-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.44
Rot. Bonds6

About (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone

(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 72882144) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID72882144
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCOCCn1ccnc1C1CCN(C(=O)c2cc3c(nc2OC)CCC3)CC1
InChIInChI=1S/C21H28N4O3/c1-27-13-12-24-11-8-22-19(24)15-6-9-25(10-7-15)21(26)17-14-16-4-3-5-18(16)23-20(17)28-2/h8,11,14-15H,3-7,9-10,12-13H2,1-2H3
InChIKeyLIECWFDEIMMXBU-UHFFFAOYSA-N
XLogP2.44
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 72882144) is (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone is COCCn1ccnc1C1CCN(C(=O)c2cc3c(nc2OC)CCC3)CC1.
What is the InChIKey of (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is LIECWFDEIMMXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-27-13-12-24-11-8-22-19(24)15-6-9-25(10-7-15)21(26)17-14-16-4-3-5-18(16)23-20(17)28-2/h8,11,14-15H,3-7,9-10,12-13H2,1-2H3.
What are the key properties of (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone?
(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 384.48 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 72882144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).