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

C14H17N3 — CID 170328773

IUPAC3-[(3S)-1,3-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESC[C@H]1C=C(c2c[nH]c3ncccc23)CN(C)C1
InChIInChI=1S/C14H17N3/c1-10-6-11(9-17(2)8-10)13-7-16-14-12(13)4-3-5-15-14/h3-7,10H,8-9H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyBVUHRQDBEWGRFX-JTQLQIEISA-N
MW227.31 g/mol
LogP2.53
Rot. Bonds1

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

3-[(3S)-1,3-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 170328773) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-[(3S)-1,3-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[(3S)-1,3-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID170328773
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name3-[(3S)-1,3-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESC[C@H]1C=C(c2c[nH]c3ncccc23)CN(C)C1
InChIInChI=1S/C14H17N3/c1-10-6-11(9-17(2)8-10)13-7-16-14-12(13)4-3-5-15-14/h3-7,10H,8-9H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyBVUHRQDBEWGRFX-JTQLQIEISA-N
XLogP2.53
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(3S)-1,3-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

3-[(3S)-1-cyclobutyl-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine
CID 170382179
3-[1-(2,2-difluoropropyl)-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine
CID 168995085
3-(1-methyl-2,5-dihydropyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 58349740
3-[(3S)-1-(furan-2-ylmethyl)-3-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine
CID 170382189
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)-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 171510288
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
3-[3-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine
CID 168995104
1-[3-[1-(2,2-difluoropropyl)-3-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrrolo[2,3-b]pyridin-1-yl]-3-[1-(1,1-difluoropropyl)-3-[2-[1-(2,2,3,3,3-pentafluoropropyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-3-yl]ethyl]-3,6-dihydro-2H-pyridin-5-yl]pyrrolo[2,3-b]pyridine
CID 168995070
3-(1-methylsulfinyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 144855080
3-(3,5-dimethylpiperazin-1-yl)sulfonyl-1H-pyrrolo[2,3-b]pyridine
CID 63874430

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1,3-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[(3S)-1,3-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine (CID 170328773) is 3-[(3S)-1,3-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[(3S)-1,3-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[(3S)-1,3-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine is C[C@H]1C=C(c2c[nH]c3ncccc23)CN(C)C1.
What is the InChIKey of 3-[(3S)-1,3-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is BVUHRQDBEWGRFX-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17N3/c1-10-6-11(9-17(2)8-10)13-7-16-14-12(13)4-3-5-15-14/h3-7,10H,8-9H2,1-2H3,(H,15,16)/t10-/m0/s1.
What are the key properties of 3-[(3S)-1,3-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine?
3-[(3S)-1,3-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 227.31 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1,3-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 170328773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).