N-[6-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

C28H36FN7O2S2 — CID 90420460

IUPACN-[6-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(N3CCN(S(=O)(=O)CCCN(C)C)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C28H36FN7O2S2/c1-5-24-27(33(4)28-31-25(20-39-28)21-7-9-22(29)10-8-21)36-19-23(11-12-26(36)30-24)34-14-16-35(17-15-34)40(37,38)18-6-13-32(2)3/h7-12,19-20H,5-6,13-18H2,1-4H3
InChIKeyUUHJJDISEPORDO-UHFFFAOYSA-N
MW585.78 g/mol
LogP4.33
Rot. Bonds10

About N-[6-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

N-[6-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 90420460) has the molecular formula C28H36FN7O2S2 and a molecular weight of 585.78 g/mol. Its IUPAC name is N-[6-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID90420460
Molecular FormulaC28H36FN7O2S2
Molecular Weight585.78 g/mol
Exact Mass585.24
IUPAC NameN-[6-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(N3CCN(S(=O)(=O)CCCN(C)C)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C28H36FN7O2S2/c1-5-24-27(33(4)28-31-25(20-39-28)21-7-9-22(29)10-8-21)36-19-23(11-12-26(36)30-24)34-14-16-35(17-15-34)40(37,38)18-6-13-32(2)3/h7-12,19-20H,5-6,13-18H2,1-4H3
InChIKeyUUHJJDISEPORDO-UHFFFAOYSA-N
XLogP4.33
TPSA77.29 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.78
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-[6-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[6-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 90420460) is N-[6-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is CCc1nc2ccc(N3CCN(S(=O)(=O)CCCN(C)C)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[6-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is UUHJJDISEPORDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36FN7O2S2/c1-5-24-27(33(4)28-31-25(20-39-28)21-7-9-22(29)10-8-21)36-19-23(11-12-26(36)30-24)34-14-16-35(17-15-34)40(37,38)18-6-13-32(2)3/h7-12,19-20H,5-6,13-18H2,1-4H3.
What are the key properties of N-[6-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
N-[6-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 585.78 g/mol, XLogP of 4.33, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 90420460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).