[1-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-yl]methanamine

C19H21Cl2N5 — CID 164743866

IUPAC[1-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-yl]methanamine
SMILESCC1(CN)CCN(c2cnc(-c3cccc(Cl)c3Cl)c3nccn23)CC1
InChIInChI=1S/C19H21Cl2N5/c1-19(12-22)5-8-25(9-6-19)15-11-24-17(18-23-7-10-26(15)18)13-3-2-4-14(20)16(13)21/h2-4,7,10-11H,5-6,8-9,12,22H2,1H3
InChIKeyBPDYNJZBLPMCPV-UHFFFAOYSA-N
MW390.32 g/mol
LogP4.27
Rot. Bonds3

About [1-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-yl]methanamine

[1-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-yl]methanamine (PubChem CID 164743866) has the molecular formula C19H21Cl2N5 and a molecular weight of 390.32 g/mol. Its IUPAC name is [1-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-yl]methanamine
PubChem CID164743866
Molecular FormulaC19H21Cl2N5
Molecular Weight390.32 g/mol
Exact Mass389.12
IUPAC Name[1-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-yl]methanamine
SMILESCC1(CN)CCN(c2cnc(-c3cccc(Cl)c3Cl)c3nccn23)CC1
InChIInChI=1S/C19H21Cl2N5/c1-19(12-22)5-8-25(9-6-19)15-11-24-17(18-23-7-10-26(15)18)13-3-2-4-14(20)16(13)21/h2-4,7,10-11H,5-6,8-9,12,22H2,1H3
InChIKeyBPDYNJZBLPMCPV-UHFFFAOYSA-N
XLogP4.27
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-yl]methanamine?
The IUPAC name of [1-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-yl]methanamine (CID 164743866) is [1-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-yl]methanamine is CC1(CN)CCN(c2cnc(-c3cccc(Cl)c3Cl)c3nccn23)CC1.
What is the InChIKey of [1-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-yl]methanamine?
The InChIKey is BPDYNJZBLPMCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N5/c1-19(12-22)5-8-25(9-6-19)15-11-24-17(18-23-7-10-26(15)18)13-3-2-4-14(20)16(13)21/h2-4,7,10-11H,5-6,8-9,12,22H2,1H3.
What are the key properties of [1-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-yl]methanamine?
[1-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-yl]methanamine has a molecular weight of 390.32 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[8-(2,3-dichlorophenyl)imidazo[1,2-a]pyrazin-5-yl]-4-methylpiperidin-4-yl]methanamine is sourced from PubChem (CID 164743866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).