[4-[6-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone

C23H27Cl2N5O — CID 155543069

IUPAC[4-[6-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone
SMILESC[C@@H](Nc1cncc(C2=CCN(C(=O)[C@H]3CCCCN3)CC2)n1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H27Cl2N5O/c1-15(18-6-5-17(24)12-19(18)25)28-22-14-26-13-21(29-22)16-7-10-30(11-8-16)23(31)20-4-2-3-9-27-20/h5-7,12-15,20,27H,2-4,8-11H2,1H3,(H,28,29)/t15-,20-/m1/s1
InChIKeyQLOGTOWDGQYQEZ-FOIQADDNSA-N
MW460.41 g/mol
LogP4.71
Rot. Bonds5

About [4-[6-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone

[4-[6-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone (PubChem CID 155543069) has the molecular formula C23H27Cl2N5O and a molecular weight of 460.41 g/mol. Its IUPAC name is [4-[6-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone.

Molecular Properties

Compound Name[4-[6-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone
PubChem CID155543069
Molecular FormulaC23H27Cl2N5O
Molecular Weight460.41 g/mol
Exact Mass459.16
IUPAC Name[4-[6-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone
SMILESC[C@@H](Nc1cncc(C2=CCN(C(=O)[C@H]3CCCCN3)CC2)n1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H27Cl2N5O/c1-15(18-6-5-17(24)12-19(18)25)28-22-14-26-13-21(29-22)16-7-10-30(11-8-16)23(31)20-4-2-3-9-27-20/h5-7,12-15,20,27H,2-4,8-11H2,1H3,(H,28,29)/t15-,20-/m1/s1
InChIKeyQLOGTOWDGQYQEZ-FOIQADDNSA-N
XLogP4.71
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.41
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[6-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[6-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone?
The IUPAC name of [4-[6-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone (CID 155543069) is [4-[6-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone.
What is the SMILES notation for [4-[6-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone?
The canonical SMILES for [4-[6-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone is C[C@@H](Nc1cncc(C2=CCN(C(=O)[C@H]3CCCCN3)CC2)n1)c1ccc(Cl)cc1Cl.
What is the InChIKey of [4-[6-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone?
The InChIKey is QLOGTOWDGQYQEZ-FOIQADDNSA-N. The full InChI is InChI=1S/C23H27Cl2N5O/c1-15(18-6-5-17(24)12-19(18)25)28-22-14-26-13-21(29-22)16-7-10-30(11-8-16)23(31)20-4-2-3-9-27-20/h5-7,12-15,20,27H,2-4,8-11H2,1H3,(H,28,29)/t15-,20-/m1/s1.
What are the key properties of [4-[6-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone?
[4-[6-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone has a molecular weight of 460.41 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone is sourced from PubChem (CID 155543069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).