2-[2-[4-(1H-pyrazol-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline

C21H19N5 — CID 71152219

IUPAC2-[2-[4-(1H-pyrazol-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline
SMILESc1ccc2nc(CCN3Cc4nccc(-c5cn[nH]c5)c4C3)ccc2c1
InChIInChI=1S/C21H19N5/c1-2-4-20-15(3-1)5-6-17(25-20)8-10-26-13-19-18(16-11-23-24-12-16)7-9-22-21(19)14-26/h1-7,9,11-12H,8,10,13-14H2,(H,23,24)
InChIKeyPEAIRIKEPRWMKB-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.58
Rot. Bonds4

About 2-[2-[4-(1H-pyrazol-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline

2-[2-[4-(1H-pyrazol-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline (PubChem CID 71152219) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-[2-[4-(1H-pyrazol-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline.

Molecular Properties

Compound Name2-[2-[4-(1H-pyrazol-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline
PubChem CID71152219
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC Name2-[2-[4-(1H-pyrazol-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline
SMILESc1ccc2nc(CCN3Cc4nccc(-c5cn[nH]c5)c4C3)ccc2c1
InChIInChI=1S/C21H19N5/c1-2-4-20-15(3-1)5-6-17(25-20)8-10-26-13-19-18(16-11-23-24-12-16)7-9-22-21(19)14-26/h1-7,9,11-12H,8,10,13-14H2,(H,23,24)
InChIKeyPEAIRIKEPRWMKB-UHFFFAOYSA-N
XLogP3.58
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[4-(4-fluorophenyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline
CID 71152387
2-[2-[4-(2-chloro-4-pyridinyl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline
CID 123740790
2-[2-[4-(3H-benzimidazol-5-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline
CID 141362054
2-[2-[4-(3,6-dimethoxypyridazin-4-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline
CID 71152577
2-(2-quinolin-2-ylethyl)-1,10-phenanthroline;hydrochloride
CID 70116348
2-[2-[4-(2-methylpyrazol-3-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]-1,3-benzothiazole
CID 141362094
7-(2-methoxypyrimidin-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149254
4-(4-methoxyphenyl)-6-(2-quinolin-2-ylethyl)-5H-pyrrolo[3,4-b]pyridin-7-one;2,2,2-trifluoroacetic acid
CID 71149402
7-(2-chloro-4-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71499204
5-[2-(4-pyridin-4-yl-1,3-dihydroisoindol-2-yl)ethyl]thieno[3,2-b]pyridine
CID 141362078
5-[3-oxo-2-(2-quinolin-2-ylethyl)-1H-isoindol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 71149359
4-[6-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine
CID 141362088

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(1H-pyrazol-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline?
The IUPAC name of 2-[2-[4-(1H-pyrazol-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline (CID 71152219) is 2-[2-[4-(1H-pyrazol-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline.
What is the SMILES notation for 2-[2-[4-(1H-pyrazol-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline?
The canonical SMILES for 2-[2-[4-(1H-pyrazol-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline is c1ccc2nc(CCN3Cc4nccc(-c5cn[nH]c5)c4C3)ccc2c1.
What is the InChIKey of 2-[2-[4-(1H-pyrazol-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline?
The InChIKey is PEAIRIKEPRWMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5/c1-2-4-20-15(3-1)5-6-17(25-20)8-10-26-13-19-18(16-11-23-24-12-16)7-9-22-21(19)14-26/h1-7,9,11-12H,8,10,13-14H2,(H,23,24).
What are the key properties of 2-[2-[4-(1H-pyrazol-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline?
2-[2-[4-(1H-pyrazol-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline has a molecular weight of 341.42 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(1H-pyrazol-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline is sourced from PubChem (CID 71152219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).