6-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridine

C19H21N3O2 — CID 95889188

IUPAC6-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cccc([C@@H]2CCN(c3ccc4cc[nH]c4n3)C2)c1OC
InChIInChI=1S/C19H21N3O2/c1-23-16-5-3-4-15(18(16)24-2)14-9-11-22(12-14)17-7-6-13-8-10-20-19(13)21-17/h3-8,10,14H,9,11-12H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyVNXYSFZFWIECHV-CQSZACIVSA-N
MW323.40 g/mol
LogP3.57
Rot. Bonds4

About 6-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridine

6-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 95889188) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 6-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID95889188
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name6-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cccc([C@@H]2CCN(c3ccc4cc[nH]c4n3)C2)c1OC
InChIInChI=1S/C19H21N3O2/c1-23-16-5-3-4-15(18(16)24-2)14-9-11-22(12-14)17-7-6-13-8-10-20-19(13)21-17/h3-8,10,14H,9,11-12H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyVNXYSFZFWIECHV-CQSZACIVSA-N
XLogP3.57
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

1-cyclopropyl-2,3-dimethoxybenzene
CID 22923325
[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 90650929
4-[(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1-methyl-6-propylpyrazolo[5,4-d]pyrimidine
CID 95871874
3-[1-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 56899043
(2S,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine
CID 56888603
5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-ethyl-1,2,4-triazole
CID 77083033
5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 131925255
3-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole
CID 134700481
2-[[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 124754070
(3R)-3-(2,3-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 126445759
(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine
CID 95708943
4-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenyltriazole
CID 56898354

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 6-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridine (CID 95889188) is 6-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridine is COc1cccc([C@@H]2CCN(c3ccc4cc[nH]c4n3)C2)c1OC.
What is the InChIKey of 6-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is VNXYSFZFWIECHV-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-23-16-5-3-4-15(18(16)24-2)14-9-11-22(12-14)17-7-6-13-8-10-20-19(13)21-17/h3-8,10,14H,9,11-12H2,1-2H3,(H,20,21)/t14-/m1/s1.
What are the key properties of 6-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridine?
6-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 323.40 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 95889188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).