(4S)-4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium

C11H13N4+ — CID 8022842

IUPAC(4S)-4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium
SMILESc1cncc([C@@H]2[NH2+]CCc3[nH]cnc32)c1
InChIInChI=1S/C11H12N4/c1-2-8(6-12-4-1)10-11-9(3-5-13-10)14-7-15-11/h1-2,4,6-7,10,13H,3,5H2,(H,14,15)/p+1/t10-/m0/s1
InChIKeyGBMWJSLSINTZJI-JTQLQIEISA-O
MW201.25 g/mol
LogP0.01
Rot. Bonds1

About (4S)-4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium

(4S)-4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium (PubChem CID 8022842) has the molecular formula C11H13N4+ and a molecular weight of 201.25 g/mol. Its IUPAC name is (4S)-4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium.

Molecular Properties

Compound Name(4S)-4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium
PubChem CID8022842
Molecular FormulaC11H13N4+
Molecular Weight201.25 g/mol
Exact Mass201.11
IUPAC Name(4S)-4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium
SMILESc1cncc([C@@H]2[NH2+]CCc3[nH]cnc32)c1
InChIInChI=1S/C11H12N4/c1-2-8(6-12-4-1)10-11-9(3-5-13-10)14-7-15-11/h1-2,4,6-7,10,13H,3,5H2,(H,14,15)/p+1/t10-/m0/s1
InChIKeyGBMWJSLSINTZJI-JTQLQIEISA-O
XLogP0.01
TPSA58.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium?
The IUPAC name of (4S)-4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium (CID 8022842) is (4S)-4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium.
What is the SMILES notation for (4S)-4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium?
The canonical SMILES for (4S)-4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium is c1cncc([C@@H]2[NH2+]CCc3[nH]cnc32)c1.
What is the InChIKey of (4S)-4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium?
The InChIKey is GBMWJSLSINTZJI-JTQLQIEISA-O. The full InChI is InChI=1S/C11H12N4/c1-2-8(6-12-4-1)10-11-9(3-5-13-10)14-7-15-11/h1-2,4,6-7,10,13H,3,5H2,(H,14,15)/p+1/t10-/m0/s1.
What are the key properties of (4S)-4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium?
(4S)-4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium has a molecular weight of 201.25 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium is sourced from PubChem (CID 8022842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).