[1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone

C23H25N5O3 — CID 29180510

IUPAC[1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
SMILESCCn1nc(C(=O)N2CCCC2)c2c1CCN(C(=O)c1cc(-c3ccccc3)no1)C2
InChIInChI=1S/C23H25N5O3/c1-2-28-19-10-13-27(15-17(19)21(24-28)23(30)26-11-6-7-12-26)22(29)20-14-18(25-31-20)16-8-4-3-5-9-16/h3-5,8-9,14H,2,6-7,10-13,15H2,1H3
InChIKeyORFYCWRYLUHFFR-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.99
Rot. Bonds4

About [1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone

[1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone (PubChem CID 29180510) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is [1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
PubChem CID29180510
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name[1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
SMILESCCn1nc(C(=O)N2CCCC2)c2c1CCN(C(=O)c1cc(-c3ccccc3)no1)C2
InChIInChI=1S/C23H25N5O3/c1-2-28-19-10-13-27(15-17(19)21(24-28)23(30)26-11-6-7-12-26)22(29)20-14-18(25-31-20)16-8-4-3-5-9-16/h3-5,8-9,14H,2,6-7,10-13,15H2,1H3
InChIKeyORFYCWRYLUHFFR-UHFFFAOYSA-N
XLogP2.99
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone (CID 29180510) is [1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone is CCn1nc(C(=O)N2CCCC2)c2c1CCN(C(=O)c1cc(-c3ccccc3)no1)C2.
What is the InChIKey of [1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
The InChIKey is ORFYCWRYLUHFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-2-28-19-10-13-27(15-17(19)21(24-28)23(30)26-11-6-7-12-26)22(29)20-14-18(25-31-20)16-8-4-3-5-9-16/h3-5,8-9,14H,2,6-7,10-13,15H2,1H3.
What are the key properties of [1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone?
[1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone has a molecular weight of 419.49 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 29180510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).