N-[(3-chlorophenyl)methyl]-4-[8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-amine

C22H23ClN8 — CID 66546138

IUPACN-[(3-chlorophenyl)methyl]-4-[8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-amine
SMILESCN1CCN(c2nccn3c(-c4ccnc(NCc5cccc(Cl)c5)n4)cnc23)CC1
InChIInChI=1S/C22H23ClN8/c1-29-9-11-30(12-10-29)20-21-26-15-19(31(21)8-7-24-20)18-5-6-25-22(28-18)27-14-16-3-2-4-17(23)13-16/h2-8,13,15H,9-12,14H2,1H3,(H,25,27,28)
InChIKeyIUQJPZNIOPKDCD-UHFFFAOYSA-N
MW434.94 g/mol
LogP3.20
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-4-[8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-amine

N-[(3-chlorophenyl)methyl]-4-[8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-amine (PubChem CID 66546138) has the molecular formula C22H23ClN8 and a molecular weight of 434.94 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-[8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-[8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-amine
PubChem CID66546138
Molecular FormulaC22H23ClN8
Molecular Weight434.94 g/mol
Exact Mass434.17
IUPAC NameN-[(3-chlorophenyl)methyl]-4-[8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-amine
SMILESCN1CCN(c2nccn3c(-c4ccnc(NCc5cccc(Cl)c5)n4)cnc23)CC1
InChIInChI=1S/C22H23ClN8/c1-29-9-11-30(12-10-29)20-21-26-15-19(31(21)8-7-24-20)18-5-6-25-22(28-18)27-14-16-3-2-4-17(23)13-16/h2-8,13,15H,9-12,14H2,1H3,(H,25,27,28)
InChIKeyIUQJPZNIOPKDCD-UHFFFAOYSA-N
XLogP3.20
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.94
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-[8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-[8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-amine (CID 66546138) is N-[(3-chlorophenyl)methyl]-4-[8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-[8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-[8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-amine is CN1CCN(c2nccn3c(-c4ccnc(NCc5cccc(Cl)c5)n4)cnc23)CC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-[8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-amine?
The InChIKey is IUQJPZNIOPKDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN8/c1-29-9-11-30(12-10-29)20-21-26-15-19(31(21)8-7-24-20)18-5-6-25-22(28-18)27-14-16-3-2-4-17(23)13-16/h2-8,13,15H,9-12,14H2,1H3,(H,25,27,28).
What are the key properties of N-[(3-chlorophenyl)methyl]-4-[8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-amine?
N-[(3-chlorophenyl)methyl]-4-[8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-amine has a molecular weight of 434.94 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-4-[8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 66546138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).