N-[2-ethyl-6-[1-(3-morpholin-4-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

C31H39FN6O3S2 — CID 90446640

IUPACN-[2-ethyl-6-[1-(3-morpholin-4-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(C3CCN(S(=O)(=O)CCCN4CCOCC4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C31H39FN6O3S2/c1-3-27-30(35(2)31-34-28(22-42-31)24-5-8-26(32)9-6-24)38-21-25(7-10-29(38)33-27)23-11-14-37(15-12-23)43(39,40)20-4-13-36-16-18-41-19-17-36/h5-10,21-23H,3-4,11-20H2,1-2H3
InChIKeyHQABZQXPLBOYPA-UHFFFAOYSA-N
MW626.82 g/mol
LogP5.16
Rot. Bonds10

About N-[2-ethyl-6-[1-(3-morpholin-4-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

N-[2-ethyl-6-[1-(3-morpholin-4-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 90446640) has the molecular formula C31H39FN6O3S2 and a molecular weight of 626.82 g/mol. Its IUPAC name is N-[2-ethyl-6-[1-(3-morpholin-4-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-ethyl-6-[1-(3-morpholin-4-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID90446640
Molecular FormulaC31H39FN6O3S2
Molecular Weight626.82 g/mol
Exact Mass626.25
IUPAC NameN-[2-ethyl-6-[1-(3-morpholin-4-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(C3CCN(S(=O)(=O)CCCN4CCOCC4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C31H39FN6O3S2/c1-3-27-30(35(2)31-34-28(22-42-31)24-5-8-26(32)9-6-24)38-21-25(7-10-29(38)33-27)23-11-14-37(15-12-23)43(39,40)20-4-13-36-16-18-41-19-17-36/h5-10,21-23H,3-4,11-20H2,1-2H3
InChIKeyHQABZQXPLBOYPA-UHFFFAOYSA-N
XLogP5.16
TPSA83.28 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.82
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-[2-ethyl-6-[1-(3-morpholin-4-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine with MolForge

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Related Compounds

2,6-Difluoro-N-{2-fluoro-5-[2-(1-methylethyl)-5-(2-{[6-(4-morpholinyl)-3-pyridinyl]amino}-4-pyrimidinyl)-1,3-thiazol-4-yl]phenyl}benzenesulfonamide
CID 46927672
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
2,6-difluoro-N-[3-fluoro-5-[5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 56663136
B-Raf IN 18
CID 56673516
2,6-Difluoro-N-{3-[2-(1-methylethyl)-5-(2-{[6-(4-morpholinyl)-3-pyridinyl]amino}-4-pyrimidinyl)-1,3-thiazol-4-yl]phenyl}benzenesulfonamide
CID 46927597
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
US9670204, 81 4-(4-tert-butylphenyl)-N-(2-ethyl-6-(1-(methylsulfonyl)piperidin-4-yl)imidazo[1,2-a]pyridin-3-yl)-N-methylthiazol-2-amine
CID 78426290
US9670204, 98 N-(2-ethyl-6-(1-(methylsulfonyl)piperidin-4-yl)imidazo[1,2-a]pyridin-3-yl)-4-(4-fluoro-2-methylphenyl)-N-methylthiazol-2-amine
CID 78426571
US9670204, 100 4-(2,4-difluorophenyl)-N-(2-ethyl-6-(1-(methylsulfonyl)piperidin-4-yl)imidazo[1,2-a]pyridin-3-yl)-N-methylthiazol-2-amine
CID 78426572
US9670204, 110 2-(4-(2-ethyl-3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)piperidin-1-yl)-(3-hydroxyazetidin-1-yl)ethanone
CID 78426574
US9670204, 180 2-(4-(2-ethyl-3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)piperazin-1-yl)ethanol
CID 78427261
2-[4-[2-Ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-7-methylimidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-1-(3-hydroxyazetidin-1-yl)ethanone
CID 78427773

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-6-[1-(3-morpholin-4-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-ethyl-6-[1-(3-morpholin-4-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 90446640) is N-[2-ethyl-6-[1-(3-morpholin-4-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-ethyl-6-[1-(3-morpholin-4-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-ethyl-6-[1-(3-morpholin-4-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is CCc1nc2ccc(C3CCN(S(=O)(=O)CCCN4CCOCC4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[2-ethyl-6-[1-(3-morpholin-4-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is HQABZQXPLBOYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39FN6O3S2/c1-3-27-30(35(2)31-34-28(22-42-31)24-5-8-26(32)9-6-24)38-21-25(7-10-29(38)33-27)23-11-14-37(15-12-23)43(39,40)20-4-13-36-16-18-41-19-17-36/h5-10,21-23H,3-4,11-20H2,1-2H3.
What are the key properties of N-[2-ethyl-6-[1-(3-morpholin-4-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
N-[2-ethyl-6-[1-(3-morpholin-4-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 626.82 g/mol, XLogP of 5.16, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-6-[1-(3-morpholin-4-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 90446640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).