4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[(4-methylpiperazin-1-yl)methyl]benzamide

C56H62N10O2 — CID 123548694

IUPAC4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(CN2CCN(C)CC2)c1.Cc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(CN2CCN(C)CC2)c1
InChIInChI=1S/2C28H31N5O/c2*1-20-6-11-25(23(17-20)18-32-15-13-31(3)14-16-32)28(34)29-24-9-7-22(8-10-24)26-19-33-12-4-5-21(2)27(33)30-26/h2*4-12,17,19H,13-16,18H2,1-3H3,(H,29,34)
InChIKeyHSSRYTZRFDWERW-UHFFFAOYSA-N
MW907.18 g/mol
LogP9.24
Rot. Bonds10

About 4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[(4-methylpiperazin-1-yl)methyl]benzamide

4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[(4-methylpiperazin-1-yl)methyl]benzamide (PubChem CID 123548694) has the molecular formula C56H62N10O2 and a molecular weight of 907.18 g/mol. Its IUPAC name is 4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[(4-methylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[(4-methylpiperazin-1-yl)methyl]benzamide
PubChem CID123548694
Molecular FormulaC56H62N10O2
Molecular Weight907.18 g/mol
Exact Mass906.51
IUPAC Name4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(CN2CCN(C)CC2)c1.Cc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(CN2CCN(C)CC2)c1
InChIInChI=1S/2C28H31N5O/c2*1-20-6-11-25(23(17-20)18-32-15-13-31(3)14-16-32)28(34)29-24-9-7-22(8-10-24)26-19-33-12-4-5-21(2)27(33)30-26/h2*4-12,17,19H,13-16,18H2,1-3H3,(H,29,34)
InChIKeyHSSRYTZRFDWERW-UHFFFAOYSA-N
XLogP9.24
TPSA105.76 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.18
LogP ≤ 59.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

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DDR1/2 inhibitor 5n
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[(4-methylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of 4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[(4-methylpiperazin-1-yl)methyl]benzamide (CID 123548694) is 4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[(4-methylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for 4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[(4-methylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for 4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[(4-methylpiperazin-1-yl)methyl]benzamide is Cc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(CN2CCN(C)CC2)c1.Cc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(CN2CCN(C)CC2)c1.
What is the InChIKey of 4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[(4-methylpiperazin-1-yl)methyl]benzamide?
The InChIKey is HSSRYTZRFDWERW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H31N5O/c2*1-20-6-11-25(23(17-20)18-32-15-13-31(3)14-16-32)28(34)29-24-9-7-22(8-10-24)26-19-33-12-4-5-21(2)27(33)30-26/h2*4-12,17,19H,13-16,18H2,1-3H3,(H,29,34).
What are the key properties of 4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[(4-methylpiperazin-1-yl)methyl]benzamide?
4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[(4-methylpiperazin-1-yl)methyl]benzamide has a molecular weight of 907.18 g/mol, XLogP of 9.24, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[(4-methylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 123548694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).