[2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridin-6-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone

C22H29N5O3S2 — CID 46947901

IUPAC[2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridin-6-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone
SMILESCCc1nc2ccc(C(=O)N3CCN(S(=O)(=O)CC)CC3)cn2c1N(C)Cc1cccs1
InChIInChI=1S/C22H29N5O3S2/c1-4-19-21(24(3)16-18-7-6-14-31-18)27-15-17(8-9-20(27)23-19)22(28)25-10-12-26(13-11-25)32(29,30)5-2/h6-9,14-15H,4-5,10-13,16H2,1-3H3
InChIKeyPFDQIUQRPKPRLG-UHFFFAOYSA-N
MW475.64 g/mol
LogP2.70
Rot. Bonds7

About [2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridin-6-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone

[2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridin-6-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone (PubChem CID 46947901) has the molecular formula C22H29N5O3S2 and a molecular weight of 475.64 g/mol. Its IUPAC name is [2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridin-6-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridin-6-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone
PubChem CID46947901
Molecular FormulaC22H29N5O3S2
Molecular Weight475.64 g/mol
Exact Mass475.17
IUPAC Name[2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridin-6-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone
SMILESCCc1nc2ccc(C(=O)N3CCN(S(=O)(=O)CC)CC3)cn2c1N(C)Cc1cccs1
InChIInChI=1S/C22H29N5O3S2/c1-4-19-21(24(3)16-18-7-6-14-31-18)27-15-17(8-9-20(27)23-19)22(28)25-10-12-26(13-11-25)32(29,30)5-2/h6-9,14-15H,4-5,10-13,16H2,1-3H3
InChIKeyPFDQIUQRPKPRLG-UHFFFAOYSA-N
XLogP2.70
TPSA78.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.64
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridin-6-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of [2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridin-6-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone (CID 46947901) is [2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridin-6-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridin-6-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for [2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridin-6-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone is CCc1nc2ccc(C(=O)N3CCN(S(=O)(=O)CC)CC3)cn2c1N(C)Cc1cccs1.
What is the InChIKey of [2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridin-6-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone?
The InChIKey is PFDQIUQRPKPRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3S2/c1-4-19-21(24(3)16-18-7-6-14-31-18)27-15-17(8-9-20(27)23-19)22(28)25-10-12-26(13-11-25)32(29,30)5-2/h6-9,14-15H,4-5,10-13,16H2,1-3H3.
What are the key properties of [2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridin-6-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone?
[2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridin-6-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone has a molecular weight of 475.64 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridin-6-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 46947901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).