6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,4-dimethoxyphenyl)methanone

C17H17NO3 — CID 115783768

IUPAC6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCc3cccnc32)c(OC)c1
InChIInChI=1S/C17H17NO3/c1-20-12-6-8-13(15(10-12)21-2)17(19)14-7-5-11-4-3-9-18-16(11)14/h3-4,6,8-10,14H,5,7H2,1-2H3
InChIKeyPTMRFUXLZBWUCM-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.01
Rot. Bonds4

About 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,4-dimethoxyphenyl)methanone

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,4-dimethoxyphenyl)methanone (PubChem CID 115783768) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,4-dimethoxyphenyl)methanone
PubChem CID115783768
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCc3cccnc32)c(OC)c1
InChIInChI=1S/C17H17NO3/c1-20-12-6-8-13(15(10-12)21-2)17(19)14-7-5-11-4-3-9-18-16(11)14/h3-4,6,8-10,14H,5,7H2,1-2H3
InChIKeyPTMRFUXLZBWUCM-UHFFFAOYSA-N
XLogP3.01
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxy-5-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 115782285
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(2-methoxyphenyl)ethanone
CID 79746182
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methoxy-1-methylpyrazol-3-yl)methanone
CID 114255283
2,3-dihydro-1H-inden-2-yl-(2,4-dimethoxyphenyl)methanone
CID 65406839
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethoxyphenyl)methanamine
CID 105009947
N-(2,5-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102772549
(3-chlorothiophen-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783692
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylphenyl)methanone
CID 79746018
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[3-(dimethylamino)phenyl]methanone
CID 105115479
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methylthiophen-2-yl)methanone
CID 115783796
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(thiophen-3-yl)methanone
CID 79745567
(4-bromo-2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 115782129

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,4-dimethoxyphenyl)methanone?
The IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,4-dimethoxyphenyl)methanone (CID 115783768) is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,4-dimethoxyphenyl)methanone.
What is the SMILES notation for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,4-dimethoxyphenyl)methanone?
The canonical SMILES for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)C2CCc3cccnc32)c(OC)c1.
What is the InChIKey of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,4-dimethoxyphenyl)methanone?
The InChIKey is PTMRFUXLZBWUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-20-12-6-8-13(15(10-12)21-2)17(19)14-7-5-11-4-3-9-18-16(11)14/h3-4,6,8-10,14H,5,7H2,1-2H3.
What are the key properties of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,4-dimethoxyphenyl)methanone?
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,4-dimethoxyphenyl)methanone has a molecular weight of 283.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 115783768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).