cyclopentyl-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone

C20H28N4O3 — CID 146070710

IUPACcyclopentyl-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCCOCCn1nc(-c2ncc(C)o2)c2c1CCN(C(=O)C1CCCC1)C2
InChIInChI=1S/C20H28N4O3/c1-3-26-11-10-24-17-8-9-23(20(25)15-6-4-5-7-15)13-16(17)18(22-24)19-21-12-14(2)27-19/h12,15H,3-11,13H2,1-2H3
InChIKeyQUOKFNWJQVEVMA-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.96
Rot. Bonds6

About cyclopentyl-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone

cyclopentyl-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 146070710) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is cyclopentyl-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID146070710
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Namecyclopentyl-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCCOCCn1nc(-c2ncc(C)o2)c2c1CCN(C(=O)C1CCCC1)C2
InChIInChI=1S/C20H28N4O3/c1-3-26-11-10-24-17-8-9-23(20(25)15-6-4-5-7-15)13-16(17)18(22-24)19-21-12-14(2)27-19/h12,15H,3-11,13H2,1-2H3
InChIKeyQUOKFNWJQVEVMA-UHFFFAOYSA-N
XLogP2.96
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of cyclopentyl-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (CID 146070710) is cyclopentyl-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for cyclopentyl-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for cyclopentyl-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is CCOCCn1nc(-c2ncc(C)o2)c2c1CCN(C(=O)C1CCCC1)C2.
What is the InChIKey of cyclopentyl-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is QUOKFNWJQVEVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-3-26-11-10-24-17-8-9-23(20(25)15-6-4-5-7-15)13-16(17)18(22-24)19-21-12-14(2)27-19/h12,15H,3-11,13H2,1-2H3.
What are the key properties of cyclopentyl-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
cyclopentyl-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 372.47 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[1-(2-ethoxyethyl)-3-(5-methyl-1,3-oxazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 146070710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).