2-[4-[2-ethyl-6-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-methylbutyl]-4-(4-fluorophenyl)-1,3-thiazole

C35H46FN5O2S2 — CID 123352380

IUPAC2-[4-[2-ethyl-6-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-methylbutyl]-4-(4-fluorophenyl)-1,3-thiazole
SMILESCCc1nc2ccc(C3CCN(S(=O)(=O)CCCN4CCCC4)CC3)cn2c1CC(C)CCc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C35H46FN5O2S2/c1-3-31-33(23-26(2)7-14-35-38-32(25-44-35)28-8-11-30(36)12-9-28)41-24-29(10-13-34(41)37-31)27-15-20-40(21-16-27)45(42,43)22-6-19-39-17-4-5-18-39/h8-13,24-27H,3-7,14-23H2,1-2H3
InChIKeyWQDNXSSFMLGVAP-UHFFFAOYSA-N
MW651.92 g/mol
LogP6.97
Rot. Bonds13

About 2-[4-[2-ethyl-6-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-methylbutyl]-4-(4-fluorophenyl)-1,3-thiazole

2-[4-[2-ethyl-6-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-methylbutyl]-4-(4-fluorophenyl)-1,3-thiazole (PubChem CID 123352380) has the molecular formula C35H46FN5O2S2 and a molecular weight of 651.92 g/mol. Its IUPAC name is 2-[4-[2-ethyl-6-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-methylbutyl]-4-(4-fluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[2-ethyl-6-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-methylbutyl]-4-(4-fluorophenyl)-1,3-thiazole
PubChem CID123352380
Molecular FormulaC35H46FN5O2S2
Molecular Weight651.92 g/mol
Exact Mass651.31
IUPAC Name2-[4-[2-ethyl-6-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-methylbutyl]-4-(4-fluorophenyl)-1,3-thiazole
SMILESCCc1nc2ccc(C3CCN(S(=O)(=O)CCCN4CCCC4)CC3)cn2c1CC(C)CCc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C35H46FN5O2S2/c1-3-31-33(23-26(2)7-14-35-38-32(25-44-35)28-8-11-30(36)12-9-28)41-24-29(10-13-34(41)37-31)27-15-20-40(21-16-27)45(42,43)22-6-19-39-17-4-5-18-39/h8-13,24-27H,3-7,14-23H2,1-2H3
InChIKeyWQDNXSSFMLGVAP-UHFFFAOYSA-N
XLogP6.97
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.92
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[2-ethyl-6-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-methylbutyl]-4-(4-fluorophenyl)-1,3-thiazole with MolForge

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Related Compounds

Imidazopyridine 10e
CID 5329344
Imidazopyridine 10f
CID 5329345
US9670204, 87 N-(6-(1-(3-(dimethylamino)propyl-sulfonyl)piperidin-4-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methylthiazol-2-amine
CID 90446642
3-(3-((4-(4-Fluorophenyl) thiazol-2-yl)(methyl)amino)-6-(1-(methylsulfonyl) piperidin-4-yl)imidazo[1,2-b]pyridazin-2-yl)propanenitrile
CID 117762471
7-[7-[4-(4-Methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[2,3-b]pyrazine
CID 56973462
amino-N-({3-[12-methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}methyl)sulfonamide
CID 25093446
N-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}benzenesulfonamide
CID 44444869
6-Chloro-5-[1-(1-ethylpiperidin-3-yl)pyrrolo[2,3-b]pyridin-3-yl]sulfonylimidazo[2,1-b][1,3]thiazole
CID 52945783
6-Chloro-5-[1-(1-methylpiperidin-3-yl)pyrrolo[2,3-b]pyridin-3-yl]sulfonylimidazo[2,1-b][1,3]thiazole
CID 10320800
2-[[1-[4,4-Bis(4-fluorophenyl)butyl]piperidin-4-yl]methyl]-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 14013470
N-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}methansulfonamide
CID 24745533
US9670204, 80 N-(2-ethyl-6-(1-(methylsulfonyl)piperidin-4-yl)imidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methylthiazol-2-amine
CID 78426289

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-ethyl-6-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-methylbutyl]-4-(4-fluorophenyl)-1,3-thiazole?
The IUPAC name of 2-[4-[2-ethyl-6-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-methylbutyl]-4-(4-fluorophenyl)-1,3-thiazole (CID 123352380) is 2-[4-[2-ethyl-6-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-methylbutyl]-4-(4-fluorophenyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-[2-ethyl-6-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-methylbutyl]-4-(4-fluorophenyl)-1,3-thiazole?
The canonical SMILES for 2-[4-[2-ethyl-6-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-methylbutyl]-4-(4-fluorophenyl)-1,3-thiazole is CCc1nc2ccc(C3CCN(S(=O)(=O)CCCN4CCCC4)CC3)cn2c1CC(C)CCc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 2-[4-[2-ethyl-6-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-methylbutyl]-4-(4-fluorophenyl)-1,3-thiazole?
The InChIKey is WQDNXSSFMLGVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46FN5O2S2/c1-3-31-33(23-26(2)7-14-35-38-32(25-44-35)28-8-11-30(36)12-9-28)41-24-29(10-13-34(41)37-31)27-15-20-40(21-16-27)45(42,43)22-6-19-39-17-4-5-18-39/h8-13,24-27H,3-7,14-23H2,1-2H3.
What are the key properties of 2-[4-[2-ethyl-6-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-methylbutyl]-4-(4-fluorophenyl)-1,3-thiazole?
2-[4-[2-ethyl-6-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-methylbutyl]-4-(4-fluorophenyl)-1,3-thiazole has a molecular weight of 651.92 g/mol, XLogP of 6.97, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-ethyl-6-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-methylbutyl]-4-(4-fluorophenyl)-1,3-thiazole is sourced from PubChem (CID 123352380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).