4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;hydrate

C11H14N4O — CID 47000675

IUPAC4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;hydrate
SMILESO.c1ccc(C2NCCc3[nH]cnc32)nc1
InChIInChI=1S/C11H12N4.H2O/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);1H2
InChIKeyPTJNLRKLWMQKBS-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.22
Rot. Bonds1

About 4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;hydrate

4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;hydrate (PubChem CID 47000675) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;hydrate.

Molecular Properties

Compound Name4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;hydrate
PubChem CID47000675
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;hydrate
SMILESO.c1ccc(C2NCCc3[nH]cnc32)nc1
InChIInChI=1S/C11H12N4.H2O/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);1H2
InChIKeyPTJNLRKLWMQKBS-UHFFFAOYSA-N
XLogP0.22
TPSA85.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 40803405
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
(4R)-4-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 1491412
4-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;dihydrochloride
CID 45371262
4-ethyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 23342292

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;hydrate?
The IUPAC name of 4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;hydrate (CID 47000675) is 4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;hydrate.
What is the SMILES notation for 4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;hydrate?
The canonical SMILES for 4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;hydrate is O.c1ccc(C2NCCc3[nH]cnc32)nc1.
What is the InChIKey of 4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;hydrate?
The InChIKey is PTJNLRKLWMQKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4.H2O/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);1H2.
What are the key properties of 4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;hydrate?
4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;hydrate has a molecular weight of 218.26 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine;hydrate is sourced from PubChem (CID 47000675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).