(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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Related Compounds

1-[4-(Furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-pyridin-4-ylurea;hydrochloride
CID 9887858
5-[[(4-Pyridyl)-amino]carbonyl]amino-8-methyl-2-(2-furyl)-pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine
CID 9887859
1-[4-(Furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-phenylurea
CID 9929470
3-[2-[4-(2,4-Difluorophenyl)piperazin-1-yl]ethyl]-8-(furan-2-yl)-[1,2,4]triazolo[5,1-f]purin-5-amine
CID 10161974
8-(Furan-2-yl)-3-[2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[5,1-f]purin-5-amine
CID 10203891
8-(Furan-2-yl)-3-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-[1,2,4]triazolo[5,1-f]purin-5-amine
CID 10278807
1-(8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenyl-urea
CID 10905799
8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxylic acid butylamide
CID 11652346
1-(2-(furan-2-yl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenylurea
CID 11761221
3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-N,N-diethyl-benzamide
CID 44403132
8-(Furan-2-yl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[5,1-f]purin-5-amine
CID 44438081
5-Amino-8-(furan-2-yl)-1-methyl-3-[2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[5,1-f]purin-2-one
CID 56943869

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).