[(7R)-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]-[(3R)-4-(2-methoxyethyl)-3-propylpiperazin-1-yl]methanone

C24H40N4O2 — CID 97339713

IUPAC[(7R)-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]-[(3R)-4-(2-methoxyethyl)-3-propylpiperazin-1-yl]methanone
SMILESCCC[C@@H]1CN(C(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)CCN1CCOC
InChIInChI=1S/C24H40N4O2/c1-3-7-21-18-27(13-12-26(21)14-15-30-2)24(29)20-10-11-28-22(16-20)17-25-23(28)19-8-5-4-6-9-19/h17,19-21H,3-16,18H2,1-2H3/t20-,21-/m1/s1
InChIKeyVMOHIQYDZLSLFW-NHCUHLMSSA-N
MW416.61 g/mol
LogP3.45
Rot. Bonds7

About [(7R)-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]-[(3R)-4-(2-methoxyethyl)-3-propylpiperazin-1-yl]methanone

[(7R)-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]-[(3R)-4-(2-methoxyethyl)-3-propylpiperazin-1-yl]methanone (PubChem CID 97339713) has the molecular formula C24H40N4O2 and a molecular weight of 416.61 g/mol. Its IUPAC name is [(7R)-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]-[(3R)-4-(2-methoxyethyl)-3-propylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[(7R)-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]-[(3R)-4-(2-methoxyethyl)-3-propylpiperazin-1-yl]methanone
PubChem CID97339713
Molecular FormulaC24H40N4O2
Molecular Weight416.61 g/mol
Exact Mass416.32
IUPAC Name[(7R)-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]-[(3R)-4-(2-methoxyethyl)-3-propylpiperazin-1-yl]methanone
SMILESCCC[C@@H]1CN(C(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)CCN1CCOC
InChIInChI=1S/C24H40N4O2/c1-3-7-21-18-27(13-12-26(21)14-15-30-2)24(29)20-10-11-28-22(16-20)17-25-23(28)19-8-5-4-6-9-19/h17,19-21H,3-16,18H2,1-2H3/t20-,21-/m1/s1
InChIKeyVMOHIQYDZLSLFW-NHCUHLMSSA-N
XLogP3.45
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.61
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(7R)-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]-[(3R)-4-(2-methoxyethyl)-3-propylpiperazin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(7R)-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]-[(3R)-4-(2-methoxyethyl)-3-propylpiperazin-1-yl]methanone?
The IUPAC name of [(7R)-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]-[(3R)-4-(2-methoxyethyl)-3-propylpiperazin-1-yl]methanone (CID 97339713) is [(7R)-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]-[(3R)-4-(2-methoxyethyl)-3-propylpiperazin-1-yl]methanone.
What is the SMILES notation for [(7R)-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]-[(3R)-4-(2-methoxyethyl)-3-propylpiperazin-1-yl]methanone?
The canonical SMILES for [(7R)-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]-[(3R)-4-(2-methoxyethyl)-3-propylpiperazin-1-yl]methanone is CCC[C@@H]1CN(C(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)CCN1CCOC.
What is the InChIKey of [(7R)-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]-[(3R)-4-(2-methoxyethyl)-3-propylpiperazin-1-yl]methanone?
The InChIKey is VMOHIQYDZLSLFW-NHCUHLMSSA-N. The full InChI is InChI=1S/C24H40N4O2/c1-3-7-21-18-27(13-12-26(21)14-15-30-2)24(29)20-10-11-28-22(16-20)17-25-23(28)19-8-5-4-6-9-19/h17,19-21H,3-16,18H2,1-2H3/t20-,21-/m1/s1.
What are the key properties of [(7R)-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]-[(3R)-4-(2-methoxyethyl)-3-propylpiperazin-1-yl]methanone?
[(7R)-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]-[(3R)-4-(2-methoxyethyl)-3-propylpiperazin-1-yl]methanone has a molecular weight of 416.61 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R)-3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]-[(3R)-4-(2-methoxyethyl)-3-propylpiperazin-1-yl]methanone is sourced from PubChem (CID 97339713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).