3-[(3S)-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]-1H-pyrrolo[2,3-b]pyridine

C12H13N3 — CID 171510288

IUPAC3-[(3S)-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESC[C@@H]1CNC=C1c1c[nH]c2ncccc12
InChIInChI=1S/C12H13N3/c1-8-5-13-6-10(8)11-7-15-12-9(11)3-2-4-14-12/h2-4,6-8,13H,5H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeySNQZZYQFBHCURU-MRVPVSSYSA-N
MW199.26 g/mol
LogP2.14
Rot. Bonds1

About 3-[(3S)-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]-1H-pyrrolo[2,3-b]pyridine

3-[(3S)-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 171510288) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 3-[(3S)-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[(3S)-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID171510288
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name3-[(3S)-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESC[C@@H]1CNC=C1c1c[nH]c2ncccc12
InChIInChI=1S/C12H13N3/c1-8-5-13-6-10(8)11-7-15-12-9(11)3-2-4-14-12/h2-4,6-8,13H,5H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeySNQZZYQFBHCURU-MRVPVSSYSA-N
XLogP2.14
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(3S)-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]-1H-pyrrolo[2,3-b]pyridine with MolForge

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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-(8-azabicyclo[3.2.1]oct-2-en-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 168995048
N-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclopent-2-en-1-yl]methyl]ethanamine
CID 171510299
3-pyridazin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 175782285
3-(3-methoxy-1,2,3,6-tetrahydropyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 168995117
3-(1-methyl-2,5-dihydropyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 58349740
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
2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine
CID 166338323
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
ethane;1H-pyrrolo[2,3-b]pyridin-3-amine
CID 142426313

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[(3S)-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]-1H-pyrrolo[2,3-b]pyridine (CID 171510288) is 3-[(3S)-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[(3S)-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[(3S)-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]-1H-pyrrolo[2,3-b]pyridine is C[C@@H]1CNC=C1c1c[nH]c2ncccc12.
What is the InChIKey of 3-[(3S)-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is SNQZZYQFBHCURU-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13N3/c1-8-5-13-6-10(8)11-7-15-12-9(11)3-2-4-14-12/h2-4,6-8,13H,5H2,1H3,(H,14,15)/t8-/m1/s1.
What are the key properties of 3-[(3S)-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
3-[(3S)-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 199.26 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-methyl-2,3-dihydro-1H-pyrrol-4-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 171510288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).