6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methoxy-1-methylpyrazol-3-yl)methanone

C14H15N3O2 — CID 114255283

IUPAC6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methoxy-1-methylpyrazol-3-yl)methanone
SMILESCOc1cc(C(=O)C2CCc3cccnc32)nn1C
InChIInChI=1S/C14H15N3O2/c1-17-12(19-2)8-11(16-17)14(18)10-6-5-9-4-3-7-15-13(9)10/h3-4,7-8,10H,5-6H2,1-2H3
InChIKeyZYEFALPDNQSBNB-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.74
Rot. Bonds3

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

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methoxy-1-methylpyrazol-3-yl)methanone (PubChem CID 114255283) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methoxy-1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methoxy-1-methylpyrazol-3-yl)methanone
PubChem CID114255283
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methoxy-1-methylpyrazol-3-yl)methanone
SMILESCOc1cc(C(=O)C2CCc3cccnc32)nn1C
InChIInChI=1S/C14H15N3O2/c1-17-12(19-2)8-11(16-17)14(18)10-6-5-9-4-3-7-15-13(9)10/h3-4,7-8,10H,5-6H2,1-2H3
InChIKeyZYEFALPDNQSBNB-UHFFFAOYSA-N
XLogP1.74
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

(5-chloro-2-methoxyphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783739
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,4-dimethoxyphenyl)methanone
CID 115783768
(6-methoxypyrimidin-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 102950203
(3,5-dichlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783719
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(6-methyl-3-pyridinyl)methanone
CID 105115340
(4-chlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 79746175
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylphenyl)methanone
CID 79746018
(3,4-difluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 79745802
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-(2-ethoxyphenyl)methanone
CID 115533443
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(2-methoxyphenyl)ethanone
CID 79746182

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methoxy-1-methylpyrazol-3-yl)methanone?
The IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methoxy-1-methylpyrazol-3-yl)methanone (CID 114255283) is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methoxy-1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methoxy-1-methylpyrazol-3-yl)methanone?
The canonical SMILES for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methoxy-1-methylpyrazol-3-yl)methanone is COc1cc(C(=O)C2CCc3cccnc32)nn1C.
What is the InChIKey of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methoxy-1-methylpyrazol-3-yl)methanone?
The InChIKey is ZYEFALPDNQSBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-17-12(19-2)8-11(16-17)14(18)10-6-5-9-4-3-7-15-13(9)10/h3-4,7-8,10H,5-6H2,1-2H3.
What are the key properties of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methoxy-1-methylpyrazol-3-yl)methanone?
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methoxy-1-methylpyrazol-3-yl)methanone has a molecular weight of 257.29 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methoxy-1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 114255283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).