(4S)-4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

C11H12N4 — CID 40803405

IUPAC(4S)-4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESc1ccc([C@@H]2NCCc3[nH]cnc32)nc1
InChIInChI=1S/C11H12N4/c1-2-5-12-8(3-1)10-11-9(4-6-13-10)14-7-15-11/h1-3,5,7,10,13H,4,6H2,(H,14,15)/t10-/m0/s1
InChIKeyQAGHLLMJFGLYIP-JTQLQIEISA-N
MW200.25 g/mol
LogP1.04
Rot. Bonds1

About (4S)-4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

(4S)-4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (PubChem CID 40803405) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is (4S)-4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(4S)-4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
PubChem CID40803405
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name(4S)-4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESc1ccc([C@@H]2NCCc3[nH]cnc32)nc1
InChIInChI=1S/C11H12N4/c1-2-5-12-8(3-1)10-11-9(4-6-13-10)14-7-15-11/h1-3,5,7,10,13H,4,6H2,(H,14,15)/t10-/m0/s1
InChIKeyQAGHLLMJFGLYIP-JTQLQIEISA-N
XLogP1.04
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;hydrate
CID 47000675
2-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)quinoline
CID 169166664
4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;trihydrochloride
CID 70610857
(4R)-4-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 1491370
3-phenyl-5-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)-1,2-oxazole
CID 56704921
N-benzyl-5-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]pyrimidin-2-amine
CID 95220632
(4R)-4-(5-phenylthiophen-2-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 95144370
3-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)phenol
CID 165470353
(4R)-4-(4-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 95127660
4-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;dihydrochloride
CID 45371262
(4R)-4-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 1491412
4-ethyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 23342292

Frequently Asked Questions

What is the IUPAC name of (4S)-4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The IUPAC name of (4S)-4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CID 40803405) is (4S)-4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for (4S)-4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for (4S)-4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is c1ccc([C@@H]2NCCc3[nH]cnc32)nc1.
What is the InChIKey of (4S)-4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The InChIKey is QAGHLLMJFGLYIP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12N4/c1-2-5-12-8(3-1)10-11-9(4-6-13-10)14-7-15-11/h1-3,5,7,10,13H,4,6H2,(H,14,15)/t10-/m0/s1.
What are the key properties of (4S)-4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
(4S)-4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine has a molecular weight of 200.25 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 40803405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).