3-[(3S)-1-(furan-2-ylmethyl)-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine

C18H19N3O — CID 170382189

IUPAC3-[(3S)-1-(furan-2-ylmethyl)-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESC[C@H]1C=C(c2c[nH]c3ncccc23)CN(Cc2ccco2)C1
InChIInChI=1S/C18H19N3O/c1-13-8-14(11-21(10-13)12-15-4-3-7-22-15)17-9-20-18-16(17)5-2-6-19-18/h2-9,13H,10-12H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyDYUAOBZZYUBVOU-ZDUSSCGKSA-N
MW293.37 g/mol
LogP3.69
Rot. Bonds3

About 3-[(3S)-1-(furan-2-ylmethyl)-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine

3-[(3S)-1-(furan-2-ylmethyl)-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 170382189) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[(3S)-1-(furan-2-ylmethyl)-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[(3S)-1-(furan-2-ylmethyl)-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID170382189
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name3-[(3S)-1-(furan-2-ylmethyl)-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESC[C@H]1C=C(c2c[nH]c3ncccc23)CN(Cc2ccco2)C1
InChIInChI=1S/C18H19N3O/c1-13-8-14(11-21(10-13)12-15-4-3-7-22-15)17-9-20-18-16(17)5-2-6-19-18/h2-9,13H,10-12H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyDYUAOBZZYUBVOU-ZDUSSCGKSA-N
XLogP3.69
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3S)-1,3-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine
CID 170328773
3-[3-methyl-1-[(3-methyloxetan-3-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine
CID 169090211
3-[(3S)-1-cyclobutyl-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine
CID 170382179
3-(1-methyl-2,5-dihydropyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 58349740
2-(furan-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66416789
4-[1-(furan-2-ylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 44625970
3-(3-methoxy-1,2,3,6-tetrahydropyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 168995117
ethane;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 142023556
1-[(6S)-8-(furan-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine
CID 97381822
1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
CID 106671878
(3R,4S)-1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
CID 79420188
3-[3-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine
CID 168995104

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(furan-2-ylmethyl)-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[(3S)-1-(furan-2-ylmethyl)-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine (CID 170382189) is 3-[(3S)-1-(furan-2-ylmethyl)-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[(3S)-1-(furan-2-ylmethyl)-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[(3S)-1-(furan-2-ylmethyl)-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine is C[C@H]1C=C(c2c[nH]c3ncccc23)CN(Cc2ccco2)C1.
What is the InChIKey of 3-[(3S)-1-(furan-2-ylmethyl)-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is DYUAOBZZYUBVOU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13-8-14(11-21(10-13)12-15-4-3-7-22-15)17-9-20-18-16(17)5-2-6-19-18/h2-9,13H,10-12H2,1H3,(H,19,20)/t13-/m0/s1.
What are the key properties of 3-[(3S)-1-(furan-2-ylmethyl)-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine?
3-[(3S)-1-(furan-2-ylmethyl)-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 293.37 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(furan-2-ylmethyl)-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 170382189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).