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

C31H38FN5S — CID 78427775

IUPACN-[6-[1-(cyclohexylmethyl)piperidin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(C3CCN(CC4CCCCC4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C31H38FN5S/c1-3-27-30(35(2)31-34-28(21-38-31)24-9-12-26(32)13-10-24)37-20-25(11-14-29(37)33-27)23-15-17-36(18-16-23)19-22-7-5-4-6-8-22/h9-14,20-23H,3-8,15-19H2,1-2H3
InChIKeyNUZDPQCMUAYWNK-UHFFFAOYSA-N
MW531.75 g/mol
LogP7.69
Rot. Bonds7

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

N-[6-[1-(cyclohexylmethyl)piperidin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 78427775) has the molecular formula C31H38FN5S and a molecular weight of 531.75 g/mol. Its IUPAC name is N-[6-[1-(cyclohexylmethyl)piperidin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-[1-(cyclohexylmethyl)piperidin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID78427775
Molecular FormulaC31H38FN5S
Molecular Weight531.75 g/mol
Exact Mass531.28
IUPAC NameN-[6-[1-(cyclohexylmethyl)piperidin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(C3CCN(CC4CCCCC4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C31H38FN5S/c1-3-27-30(35(2)31-34-28(21-38-31)24-9-12-26(32)13-10-24)37-20-25(11-14-29(37)33-27)23-15-17-36(18-16-23)19-22-7-5-4-6-8-22/h9-14,20-23H,3-8,15-19H2,1-2H3
InChIKeyNUZDPQCMUAYWNK-UHFFFAOYSA-N
XLogP7.69
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.75
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[6-[1-(cyclohexylmethyl)piperidin-4-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-[1-(cyclohexylmethyl)piperidin-4-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-[1-(cyclohexylmethyl)piperidin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 78427775) is N-[6-[1-(cyclohexylmethyl)piperidin-4-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-[1-(cyclohexylmethyl)piperidin-4-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-[1-(cyclohexylmethyl)piperidin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is CCc1nc2ccc(C3CCN(CC4CCCCC4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[6-[1-(cyclohexylmethyl)piperidin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is NUZDPQCMUAYWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38FN5S/c1-3-27-30(35(2)31-34-28(21-38-31)24-9-12-26(32)13-10-24)37-20-25(11-14-29(37)33-27)23-15-17-36(18-16-23)19-22-7-5-4-6-8-22/h9-14,20-23H,3-8,15-19H2,1-2H3.
What are the key properties of N-[6-[1-(cyclohexylmethyl)piperidin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
N-[6-[1-(cyclohexylmethyl)piperidin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 531.75 g/mol, XLogP of 7.69, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-(cyclohexylmethyl)piperidin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 78427775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).