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

C20H27N5O2 — CID 46992227

IUPAC(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[4-(4-propyltriazol-1-yl)piperidin-1-yl]methanone
SMILESCCCc1cn(C2CCN(C(=O)c3cc4c(nc3OC)CCC4)CC2)nn1
InChIInChI=1S/C20H27N5O2/c1-3-5-15-13-25(23-22-15)16-8-10-24(11-9-16)20(26)17-12-14-6-4-7-18(14)21-19(17)27-2/h12-13,16H,3-11H2,1-2H3
InChIKeyYGMLWDQQUDWHRS-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.60
Rot. Bonds5

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

(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[4-(4-propyltriazol-1-yl)piperidin-1-yl]methanone (PubChem CID 46992227) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[4-(4-propyltriazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[4-(4-propyltriazol-1-yl)piperidin-1-yl]methanone
PubChem CID46992227
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[4-(4-propyltriazol-1-yl)piperidin-1-yl]methanone
SMILESCCCc1cn(C2CCN(C(=O)c3cc4c(nc3OC)CCC4)CC2)nn1
InChIInChI=1S/C20H27N5O2/c1-3-5-15-13-25(23-22-15)16-8-10-24(11-9-16)20(26)17-12-14-6-4-7-18(14)21-19(17)27-2/h12-13,16H,3-11H2,1-2H3
InChIKeyYGMLWDQQUDWHRS-UHFFFAOYSA-N
XLogP2.60
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[4-(4-propyltriazol-1-yl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[4-(4-propyltriazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[4-(4-propyltriazol-1-yl)piperidin-1-yl]methanone (CID 46992227) is (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[4-(4-propyltriazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[4-(4-propyltriazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[4-(4-propyltriazol-1-yl)piperidin-1-yl]methanone is CCCc1cn(C2CCN(C(=O)c3cc4c(nc3OC)CCC4)CC2)nn1.
What is the InChIKey of (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[4-(4-propyltriazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is YGMLWDQQUDWHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-3-5-15-13-25(23-22-15)16-8-10-24(11-9-16)20(26)17-12-14-6-4-7-18(14)21-19(17)27-2/h12-13,16H,3-11H2,1-2H3.
What are the key properties of (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[4-(4-propyltriazol-1-yl)piperidin-1-yl]methanone?
(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[4-(4-propyltriazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 369.47 g/mol, XLogP of 2.60, 5 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-(4-propyltriazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 46992227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).