2-(1,2-benzoxazol-3-yl)-1-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]ethanone

C21H19N5O3 — CID 71797839

IUPAC2-(1,2-benzoxazol-3-yl)-1-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1noc2ccccc12)N1CCN(C(=O)c2cnn3ccccc23)CC1
InChIInChI=1S/C21H19N5O3/c27-20(13-17-15-5-1-2-7-19(15)29-23-17)24-9-11-25(12-10-24)21(28)16-14-22-26-8-4-3-6-18(16)26/h1-8,14H,9-13H2
InChIKeyOQNYWNXWSGFAQV-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.00
Rot. Bonds3

About 2-(1,2-benzoxazol-3-yl)-1-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]ethanone

2-(1,2-benzoxazol-3-yl)-1-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 71797839) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-1-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-1-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID71797839
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name2-(1,2-benzoxazol-3-yl)-1-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1noc2ccccc12)N1CCN(C(=O)c2cnn3ccccc23)CC1
InChIInChI=1S/C21H19N5O3/c27-20(13-17-15-5-1-2-7-19(15)29-23-17)24-9-11-25(12-10-24)21(28)16-14-22-26-8-4-3-6-18(16)26/h1-8,14H,9-13H2
InChIKeyOQNYWNXWSGFAQV-UHFFFAOYSA-N
XLogP2.00
TPSA83.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-1-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-1-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]ethanone (CID 71797839) is 2-(1,2-benzoxazol-3-yl)-1-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-1-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-1-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]ethanone is O=C(Cc1noc2ccccc12)N1CCN(C(=O)c2cnn3ccccc23)CC1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-1-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is OQNYWNXWSGFAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c27-20(13-17-15-5-1-2-7-19(15)29-23-17)24-9-11-25(12-10-24)21(28)16-14-22-26-8-4-3-6-18(16)26/h1-8,14H,9-13H2.
What are the key properties of 2-(1,2-benzoxazol-3-yl)-1-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]ethanone?
2-(1,2-benzoxazol-3-yl)-1-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 389.42 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-1-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 71797839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).