3-ethenyl-5-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine

C21H22N4 — CID 166900073

IUPAC3-ethenyl-5-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESC=Cc1c[nH]c2ncc(-c3ccc(N4CC5(CN(C)C5)C4)cc3)cc12
InChIInChI=1S/C21H22N4/c1-3-15-9-22-20-19(15)8-17(10-23-20)16-4-6-18(7-5-16)25-13-21(14-25)11-24(2)12-21/h3-10H,1,11-14H2,2H3,(H,22,23)
InChIKeyZFFUMSUGFIBWSD-UHFFFAOYSA-N
MW330.44 g/mol
LogP3.62
Rot. Bonds3

About 3-ethenyl-5-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine

3-ethenyl-5-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 166900073) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 3-ethenyl-5-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-ethenyl-5-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID166900073
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name3-ethenyl-5-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESC=Cc1c[nH]c2ncc(-c3ccc(N4CC5(CN(C)C5)C4)cc3)cc12
InChIInChI=1S/C21H22N4/c1-3-15-9-22-20-19(15)8-17(10-23-20)16-4-6-18(7-5-16)25-13-21(14-25)11-24(2)12-21/h3-10H,1,11-14H2,2H3,(H,22,23)
InChIKeyZFFUMSUGFIBWSD-UHFFFAOYSA-N
XLogP3.62
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)-3-ethenyl-1H-pyrrolo[2,3-b]pyridine
CID 166842378
3-iodo-5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 138754280
3-ethenyl-5-(3-ethenylazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridine
CID 153394403
3,5-dimethyl-4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-oxazole
CID 175584716
4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid
CID 151646717
2-[4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-1,3-oxazole
CID 146274463
3-(2,4-dimethylpyrimidin-5-yl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine;formamide
CID 175084816
4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine
CID 59811985
3-bromo-2-chloro-5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 146272522
(E)-3-[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 118267720
N,N-dimethyl-4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
CID 146274386
N,N-dimethyl-4-[5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzenesulfonamide
CID 146274727

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-ethenyl-5-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine (CID 166900073) is 3-ethenyl-5-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-ethenyl-5-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-ethenyl-5-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine is C=Cc1c[nH]c2ncc(-c3ccc(N4CC5(CN(C)C5)C4)cc3)cc12.
What is the InChIKey of 3-ethenyl-5-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ZFFUMSUGFIBWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-3-15-9-22-20-19(15)8-17(10-23-20)16-4-6-18(7-5-16)25-13-21(14-25)11-24(2)12-21/h3-10H,1,11-14H2,2H3,(H,22,23).
What are the key properties of 3-ethenyl-5-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine?
3-ethenyl-5-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 330.44 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 166900073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).