2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1H-imidazo[4,5-b]pyridine

C12H12N6 — CID 79341689

IUPAC2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1H-imidazo[4,5-b]pyridine
SMILESc1cnc2nc(C3Cc4nc[nH]c4CN3)[nH]c2c1
InChIInChI=1S/C12H12N6/c1-2-7-11(13-3-1)18-12(17-7)9-4-8-10(5-14-9)16-6-15-8/h1-3,6,9,14H,4-5H2,(H,15,16)(H,13,17,18)
InChIKeyZSWXFNBDYZJARM-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.07
Rot. Bonds1

About 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1H-imidazo[4,5-b]pyridine

2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 79341689) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1H-imidazo[4,5-b]pyridine
PubChem CID79341689
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1H-imidazo[4,5-b]pyridine
SMILESc1cnc2nc(C3Cc4nc[nH]c4CN3)[nH]c2c1
InChIInChI=1S/C12H12N6/c1-2-7-11(13-3-1)18-12(17-7)9-4-8-10(5-14-9)16-6-15-8/h1-3,6,9,14H,4-5H2,(H,15,16)(H,13,17,18)
InChIKeyZSWXFNBDYZJARM-UHFFFAOYSA-N
XLogP1.07
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1H-imidazo[4,5-b]pyridine (CID 79341689) is 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1H-imidazo[4,5-b]pyridine is c1cnc2nc(C3Cc4nc[nH]c4CN3)[nH]c2c1.
What is the InChIKey of 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is ZSWXFNBDYZJARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c1-2-7-11(13-3-1)18-12(17-7)9-4-8-10(5-14-9)16-6-15-8/h1-3,6,9,14H,4-5H2,(H,15,16)(H,13,17,18).
What are the key properties of 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1H-imidazo[4,5-b]pyridine?
2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 240.27 g/mol, XLogP of 1.07, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 79341689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).