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

C27H29N5O — CID 58236495

IUPAC4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(N2CCN(C)CC2)c1
InChIInChI=1S/C27H29N5O/c1-19-6-11-23(25(17-19)31-15-13-30(3)14-16-31)27(33)28-22-9-7-21(8-10-22)24-18-32-12-4-5-20(2)26(32)29-24/h4-12,17-18H,13-16H2,1-3H3,(H,28,33)
InChIKeyMJNXLLUESOHRSL-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.62
Rot. Bonds4

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

4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)benzamide (PubChem CID 58236495) has the molecular formula C27H29N5O and a molecular weight of 439.56 g/mol. Its IUPAC name is 4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)benzamide
PubChem CID58236495
Molecular FormulaC27H29N5O
Molecular Weight439.56 g/mol
Exact Mass439.24
IUPAC Name4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(N2CCN(C)CC2)c1
InChIInChI=1S/C27H29N5O/c1-19-6-11-23(25(17-19)31-15-13-30(3)14-16-31)27(33)28-22-9-7-21(8-10-22)24-18-32-12-4-5-20(2)26(32)29-24/h4-12,17-18H,13-16H2,1-3H3,(H,28,33)
InChIKeyMJNXLLUESOHRSL-UHFFFAOYSA-N
XLogP4.62
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121089708
2,3,4-trifluoro-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 122284520
N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 700051
2,4-dimethoxy-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 2980139
N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]naphthalene-1-carboxamide
CID 121089714
2-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 71891348
4-(dimethylamino)-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 122284488
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzamide
CID 121033061
2-hydroxy-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclopentane-1-carboxamide
CID 110014145
4-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobutanoate
CID 6922734
3-methyl-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121055648
N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 55737102

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)benzamide?
The IUPAC name of 4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)benzamide (CID 58236495) is 4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)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)benzamide?
The canonical SMILES for 4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)benzamide is Cc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(N2CCN(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)benzamide?
The InChIKey is MJNXLLUESOHRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O/c1-19-6-11-23(25(17-19)31-15-13-30(3)14-16-31)27(33)28-22-9-7-21(8-10-22)24-18-32-12-4-5-20(2)26(32)29-24/h4-12,17-18H,13-16H2,1-3H3,(H,28,33).
What are the key properties of 4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)benzamide?
4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 439.56 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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)benzamide is sourced from PubChem (CID 58236495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).