7-(4-cyclopentylpiperazin-1-yl)-1-methyl-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C22H31N5 — CID 84745602

IUPAC7-(4-cyclopentylpiperazin-1-yl)-1-methyl-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCn1c(-c2ccccc2)nc2c1C(N1CCN(C3CCCC3)CC1)CNC2
InChIInChI=1S/C22H31N5/c1-25-21-19(24-22(25)17-7-3-2-4-8-17)15-23-16-20(21)27-13-11-26(12-14-27)18-9-5-6-10-18/h2-4,7-8,18,20,23H,5-6,9-16H2,1H3
InChIKeyRKFITEHDHSHEKU-UHFFFAOYSA-N
MW365.53 g/mol
LogP2.79
Rot. Bonds3

About 7-(4-cyclopentylpiperazin-1-yl)-1-methyl-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

7-(4-cyclopentylpiperazin-1-yl)-1-methyl-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 84745602) has the molecular formula C22H31N5 and a molecular weight of 365.53 g/mol. Its IUPAC name is 7-(4-cyclopentylpiperazin-1-yl)-1-methyl-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name7-(4-cyclopentylpiperazin-1-yl)-1-methyl-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID84745602
Molecular FormulaC22H31N5
Molecular Weight365.53 g/mol
Exact Mass365.26
IUPAC Name7-(4-cyclopentylpiperazin-1-yl)-1-methyl-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCn1c(-c2ccccc2)nc2c1C(N1CCN(C3CCCC3)CC1)CNC2
InChIInChI=1S/C22H31N5/c1-25-21-19(24-22(25)17-7-3-2-4-8-17)15-23-16-20(21)27-13-11-26(12-14-27)18-9-5-6-10-18/h2-4,7-8,18,20,23H,5-6,9-16H2,1H3
InChIKeyRKFITEHDHSHEKU-UHFFFAOYSA-N
XLogP2.79
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.53
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-cyclopentylpiperazin-1-yl)-1-methyl-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 7-(4-cyclopentylpiperazin-1-yl)-1-methyl-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 84745602) is 7-(4-cyclopentylpiperazin-1-yl)-1-methyl-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 7-(4-cyclopentylpiperazin-1-yl)-1-methyl-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 7-(4-cyclopentylpiperazin-1-yl)-1-methyl-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is Cn1c(-c2ccccc2)nc2c1C(N1CCN(C3CCCC3)CC1)CNC2.
What is the InChIKey of 7-(4-cyclopentylpiperazin-1-yl)-1-methyl-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is RKFITEHDHSHEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5/c1-25-21-19(24-22(25)17-7-3-2-4-8-17)15-23-16-20(21)27-13-11-26(12-14-27)18-9-5-6-10-18/h2-4,7-8,18,20,23H,5-6,9-16H2,1H3.
What are the key properties of 7-(4-cyclopentylpiperazin-1-yl)-1-methyl-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
7-(4-cyclopentylpiperazin-1-yl)-1-methyl-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 365.53 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-cyclopentylpiperazin-1-yl)-1-methyl-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 84745602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).