N-[(2-chlorophenyl)methyl]-6-[8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine

C23H24ClN7 — CID 66548833

IUPACN-[(2-chlorophenyl)methyl]-6-[8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine
SMILESCN1CCN(c2nccn3c(-c4cccc(NCc5ccccc5Cl)n4)cnc23)CC1
InChIInChI=1S/C23H24ClN7/c1-29-11-13-30(14-12-29)22-23-27-16-20(31(23)10-9-25-22)19-7-4-8-21(28-19)26-15-17-5-2-3-6-18(17)24/h2-10,16H,11-15H2,1H3,(H,26,28)
InChIKeyCJPJWYYMCBRNPM-UHFFFAOYSA-N
MW433.95 g/mol
LogP3.81
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-6-[8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine

N-[(2-chlorophenyl)methyl]-6-[8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine (PubChem CID 66548833) has the molecular formula C23H24ClN7 and a molecular weight of 433.95 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-6-[8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-6-[8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine
PubChem CID66548833
Molecular FormulaC23H24ClN7
Molecular Weight433.95 g/mol
Exact Mass433.18
IUPAC NameN-[(2-chlorophenyl)methyl]-6-[8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine
SMILESCN1CCN(c2nccn3c(-c4cccc(NCc5ccccc5Cl)n4)cnc23)CC1
InChIInChI=1S/C23H24ClN7/c1-29-11-13-30(14-12-29)22-23-27-16-20(31(23)10-9-25-22)19-7-4-8-21(28-19)26-15-17-5-2-3-6-18(17)24/h2-10,16H,11-15H2,1H3,(H,26,28)
InChIKeyCJPJWYYMCBRNPM-UHFFFAOYSA-N
XLogP3.81
TPSA61.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.95
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-6-[8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-6-[8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine (CID 66548833) is N-[(2-chlorophenyl)methyl]-6-[8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-6-[8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-6-[8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine is CN1CCN(c2nccn3c(-c4cccc(NCc5ccccc5Cl)n4)cnc23)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-6-[8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine?
The InChIKey is CJPJWYYMCBRNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN7/c1-29-11-13-30(14-12-29)22-23-27-16-20(31(23)10-9-25-22)19-7-4-8-21(28-19)26-15-17-5-2-3-6-18(17)24/h2-10,16H,11-15H2,1H3,(H,26,28).
What are the key properties of N-[(2-chlorophenyl)methyl]-6-[8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine?
N-[(2-chlorophenyl)methyl]-6-[8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine has a molecular weight of 433.95 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-6-[8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]pyridin-2-amine is sourced from PubChem (CID 66548833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).