3-[(4R)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-4-yl]isoquinoline

C15H14N4 — CID 169166917

IUPAC3-[(4R)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-4-yl]isoquinoline
SMILESc1ccc2cc([C@@H]3NCCc4nc[nH]c43)ncc2c1
InChIInChI=1S/C15H14N4/c1-2-4-11-8-17-13(7-10(11)3-1)15-14-12(5-6-16-15)18-9-19-14/h1-4,7-9,15-16H,5-6H2,(H,18,19)/t15-/m0/s1
InChIKeyVGEHGVPASLFCGO-HNNXBMFYSA-N
MW250.31 g/mol
LogP2.19
Rot. Bonds1

About 3-[(4R)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-4-yl]isoquinoline

3-[(4R)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-4-yl]isoquinoline (PubChem CID 169166917) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 3-[(4R)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-4-yl]isoquinoline.

Molecular Properties

Compound Name3-[(4R)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-4-yl]isoquinoline
PubChem CID169166917
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name3-[(4R)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-4-yl]isoquinoline
SMILESc1ccc2cc([C@@H]3NCCc4nc[nH]c43)ncc2c1
InChIInChI=1S/C15H14N4/c1-2-4-11-8-17-13(7-10(11)3-1)15-14-12(5-6-16-15)18-9-19-14/h1-4,7-9,15-16H,5-6H2,(H,18,19)/t15-/m0/s1
InChIKeyVGEHGVPASLFCGO-HNNXBMFYSA-N
XLogP2.19
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-4-yl]isoquinoline?
The IUPAC name of 3-[(4R)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-4-yl]isoquinoline (CID 169166917) is 3-[(4R)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-4-yl]isoquinoline.
What is the SMILES notation for 3-[(4R)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-4-yl]isoquinoline?
The canonical SMILES for 3-[(4R)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-4-yl]isoquinoline is c1ccc2cc([C@@H]3NCCc4nc[nH]c43)ncc2c1.
What is the InChIKey of 3-[(4R)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-4-yl]isoquinoline?
The InChIKey is VGEHGVPASLFCGO-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H14N4/c1-2-4-11-8-17-13(7-10(11)3-1)15-14-12(5-6-16-15)18-9-19-14/h1-4,7-9,15-16H,5-6H2,(H,18,19)/t15-/m0/s1.
What are the key properties of 3-[(4R)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-4-yl]isoquinoline?
3-[(4R)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-4-yl]isoquinoline has a molecular weight of 250.31 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-4-yl]isoquinoline is sourced from PubChem (CID 169166917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).