(2-ethylpyrazol-3-yl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone

C20H20N6O2 — CID 53186878

IUPAC(2-ethylpyrazol-3-yl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCC(n2c(-c3ccco3)nc3cccnc32)C1
InChIInChI=1S/C20H20N6O2/c1-2-25-16(7-10-22-25)20(27)24-11-8-14(13-24)26-18-15(5-3-9-21-18)23-19(26)17-6-4-12-28-17/h3-7,9-10,12,14H,2,8,11,13H2,1H3
InChIKeyMELNYOJGMCLTKP-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.99
Rot. Bonds4

About (2-ethylpyrazol-3-yl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone

(2-ethylpyrazol-3-yl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone (PubChem CID 53186878) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
PubChem CID53186878
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name(2-ethylpyrazol-3-yl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCC(n2c(-c3ccco3)nc3cccnc32)C1
InChIInChI=1S/C20H20N6O2/c1-2-25-16(7-10-22-25)20(27)24-11-8-14(13-24)26-18-15(5-3-9-21-18)23-19(26)17-6-4-12-28-17/h3-7,9-10,12,14H,2,8,11,13H2,1H3
InChIKeyMELNYOJGMCLTKP-UHFFFAOYSA-N
XLogP2.99
TPSA81.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone (CID 53186878) is (2-ethylpyrazol-3-yl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone is CCn1nccc1C(=O)N1CCC(n2c(-c3ccco3)nc3cccnc32)C1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
The InChIKey is MELNYOJGMCLTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-2-25-16(7-10-22-25)20(27)24-11-8-14(13-24)26-18-15(5-3-9-21-18)23-19(26)17-6-4-12-28-17/h3-7,9-10,12,14H,2,8,11,13H2,1H3.
What are the key properties of (2-ethylpyrazol-3-yl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone?
(2-ethylpyrazol-3-yl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone has a molecular weight of 376.42 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 53186878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).