2-ethyl-5-[2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C17H26N6 — CID 130250872

IUPAC2-ethyl-5-[2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCc1nc2c([nH]1)CN(CC(C)c1nc3c([nH]1)CNCC3)CC2
InChIInChI=1S/C17H26N6/c1-3-16-19-13-5-7-23(10-15(13)20-16)9-11(2)17-21-12-4-6-18-8-14(12)22-17/h11,18H,3-10H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyYTQPLUNUHDSTNR-UHFFFAOYSA-N
MW314.44 g/mol
LogP1.50
Rot. Bonds4

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

2-ethyl-5-[2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 130250872) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is 2-ethyl-5-[2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-ethyl-5-[2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID130250872
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC Name2-ethyl-5-[2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCc1nc2c([nH]1)CN(CC(C)c1nc3c([nH]1)CNCC3)CC2
InChIInChI=1S/C17H26N6/c1-3-16-19-13-5-7-23(10-15(13)20-16)9-11(2)17-21-12-4-6-18-8-14(12)22-17/h11,18H,3-10H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyYTQPLUNUHDSTNR-UHFFFAOYSA-N
XLogP1.50
TPSA72.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-5-[2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 2-ethyl-5-[2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 130250872) is 2-ethyl-5-[2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-ethyl-5-[2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 2-ethyl-5-[2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is CCc1nc2c([nH]1)CN(CC(C)c1nc3c([nH]1)CNCC3)CC2.
What is the InChIKey of 2-ethyl-5-[2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is YTQPLUNUHDSTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6/c1-3-16-19-13-5-7-23(10-15(13)20-16)9-11(2)17-21-12-4-6-18-8-14(12)22-17/h11,18H,3-10H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 2-ethyl-5-[2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
2-ethyl-5-[2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 314.44 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)propyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 130250872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).