N-[6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide

C27H29N5O3S — CID 46944074

IUPACN-[6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(N3CCN(C)CC3)cc2)cn2c(-c3ccc(S(C)(=O)=O)cc3)cnc12
InChIInChI=1S/C27H29N5O3S/c1-19(33)29-25-16-22(20-4-8-23(9-5-20)31-14-12-30(2)13-15-31)18-32-26(17-28-27(25)32)21-6-10-24(11-7-21)36(3,34)35/h4-11,16-18H,12-15H2,1-3H3,(H,29,33)
InChIKeyFFYGFZTYBCQHEP-UHFFFAOYSA-N
MW503.63 g/mol
LogP3.78
Rot. Bonds5

About N-[6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide

N-[6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide (PubChem CID 46944074) has the molecular formula C27H29N5O3S and a molecular weight of 503.63 g/mol. Its IUPAC name is N-[6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide.

Molecular Properties

Compound NameN-[6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide
PubChem CID46944074
Molecular FormulaC27H29N5O3S
Molecular Weight503.63 g/mol
Exact Mass503.20
IUPAC NameN-[6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(N3CCN(C)CC3)cc2)cn2c(-c3ccc(S(C)(=O)=O)cc3)cnc12
InChIInChI=1S/C27H29N5O3S/c1-19(33)29-25-16-22(20-4-8-23(9-5-20)31-14-12-30(2)13-15-31)18-32-26(17-28-27(25)32)21-6-10-24(11-7-21)36(3,34)35/h4-11,16-18H,12-15H2,1-3H3,(H,29,33)
InChIKeyFFYGFZTYBCQHEP-UHFFFAOYSA-N
XLogP3.78
TPSA87.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.63
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 14652
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CID 57336812
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CID 5329347
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CID 5329350
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CID 11846463
CID 11846463
CID 11846625
CID 11846625
CID 57394382
CID 57394382
CID 57394383
CID 57394383
CID 66611076
CID 66611076
CID 44444869
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CID 145949251
CID 145949251
CID 2909198
CID 2909198

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide?
The IUPAC name of N-[6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide (CID 46944074) is N-[6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide.
What is the SMILES notation for N-[6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide?
The canonical SMILES for N-[6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide is CC(=O)Nc1cc(-c2ccc(N3CCN(C)CC3)cc2)cn2c(-c3ccc(S(C)(=O)=O)cc3)cnc12.
What is the InChIKey of N-[6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide?
The InChIKey is FFYGFZTYBCQHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3S/c1-19(33)29-25-16-22(20-4-8-23(9-5-20)31-14-12-30(2)13-15-31)18-32-26(17-28-27(25)32)21-6-10-24(11-7-21)36(3,34)35/h4-11,16-18H,12-15H2,1-3H3,(H,29,33).
What are the key properties of N-[6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide?
N-[6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide has a molecular weight of 503.63 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]acetamide is sourced from PubChem (CID 46944074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).