N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]-6-(2-methylimidazol-1-yl)pyrazin-2-amine

C20H22Cl2N6 — CID 133453504

IUPACN-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]-6-(2-methylimidazol-1-yl)pyrazin-2-amine
SMILESCc1nccn1-c1cncc(NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)n1
InChIInChI=1S/C20H22Cl2N6/c1-14-24-4-7-28(14)20-12-23-11-19(26-20)25-18-2-5-27(6-3-18)13-15-8-16(21)10-17(22)9-15/h4,7-12,18H,2-3,5-6,13H2,1H3,(H,25,26)
InChIKeyGDPSQOYPAZAWBZ-UHFFFAOYSA-N
MW417.34 g/mol
LogP4.35
Rot. Bonds5

About N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]-6-(2-methylimidazol-1-yl)pyrazin-2-amine

N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]-6-(2-methylimidazol-1-yl)pyrazin-2-amine (PubChem CID 133453504) has the molecular formula C20H22Cl2N6 and a molecular weight of 417.34 g/mol. Its IUPAC name is N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]-6-(2-methylimidazol-1-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]-6-(2-methylimidazol-1-yl)pyrazin-2-amine
PubChem CID133453504
Molecular FormulaC20H22Cl2N6
Molecular Weight417.34 g/mol
Exact Mass416.13
IUPAC NameN-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]-6-(2-methylimidazol-1-yl)pyrazin-2-amine
SMILESCc1nccn1-c1cncc(NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)n1
InChIInChI=1S/C20H22Cl2N6/c1-14-24-4-7-28(14)20-12-23-11-19(26-20)25-18-2-5-27(6-3-18)13-15-8-16(21)10-17(22)9-15/h4,7-12,18H,2-3,5-6,13H2,1H3,(H,25,26)
InChIKeyGDPSQOYPAZAWBZ-UHFFFAOYSA-N
XLogP4.35
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.34
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]-6-(2-methylimidazol-1-yl)pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133453499
N-ethyl-6-(2-methylimidazol-1-yl)pyrazin-2-amine
CID 80853705
3-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]-1-ethylpyrazin-2-one
CID 133453509
N-(9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-6-(2-methylimidazol-1-yl)pyrazin-2-amine
CID 133436007
N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-6-(2-methylimidazol-1-yl)pyrazin-2-amine
CID 99630162
6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazin-2-amine
CID 133284396
4-N-[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 126878454
N-(cyclopropylmethyl)-1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine
CID 115306881
8-chloro-N-[1-[(3,5-diethoxyphenyl)methyl]piperidin-4-yl]quinolin-2-amine
CID 67401361
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 56823393
N-[[1-(dimethylamino)cycloheptyl]methyl]-6-(2-methylimidazol-1-yl)pyrazin-2-amine
CID 154751128
8-chloro-N-[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]quinolin-2-amine
CID 67400703

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]-6-(2-methylimidazol-1-yl)pyrazin-2-amine?
The IUPAC name of N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]-6-(2-methylimidazol-1-yl)pyrazin-2-amine (CID 133453504) is N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]-6-(2-methylimidazol-1-yl)pyrazin-2-amine.
What is the SMILES notation for N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]-6-(2-methylimidazol-1-yl)pyrazin-2-amine?
The canonical SMILES for N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]-6-(2-methylimidazol-1-yl)pyrazin-2-amine is Cc1nccn1-c1cncc(NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)n1.
What is the InChIKey of N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]-6-(2-methylimidazol-1-yl)pyrazin-2-amine?
The InChIKey is GDPSQOYPAZAWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N6/c1-14-24-4-7-28(14)20-12-23-11-19(26-20)25-18-2-5-27(6-3-18)13-15-8-16(21)10-17(22)9-15/h4,7-12,18H,2-3,5-6,13H2,1H3,(H,25,26).
What are the key properties of N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]-6-(2-methylimidazol-1-yl)pyrazin-2-amine?
N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]-6-(2-methylimidazol-1-yl)pyrazin-2-amine has a molecular weight of 417.34 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]-6-(2-methylimidazol-1-yl)pyrazin-2-amine is sourced from PubChem (CID 133453504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).